5-[(3-chlorophenyl)methyl]-3-[(4-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxy-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-(5-methylpyrimidin-2-yl)oxyphenyl]methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide

C140H122Cl6N34O15 — CID 159224280

IUPAC5-[(3-chlorophenyl)methyl]-3-[(4-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxy-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-(5-methylpyrimidin-2-yl)oxyphenyl]methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCCc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1.COc1ccc(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C(N)=O)c(O)c1.COc1ccc(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C(N)=O)cc1.COc1ccc(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C(N)=O)cc1[N+](=O)[O-].Cc1ccc(/C=N/c2n[nH]c(Cc3cccnc3)c2C(N)=O)cc1.Cc1cnc(Oc2ccc(/C=N/c3n[nH]c(Cc4cccc(Cl)c4)c3C(N)=O)cc2)nc1.NC(=O)c1c(/N=C/c2ccc(Oc3ncccn3)cc2)n[nH]c1Cc1cccc(Cl)c1
InChIInChI=1S/C23H19ClN6O2.C22H17ClN6O2.C20H19ClN4O.C19H16ClN5O4.C19H17ClN4O3.C19H17ClN4O2.C18H17N5O/c1-14-11-27-23(28-12-14)32-18-7-5-15(6-8-18)13-26-22-20(21(25)31)19(29-30-22)10-16-3-2-4-17(24)9-16;23-16-4-1-3-15(11-16)12-18-19(20(24)30)21(29-28-18)27-13-14-5-7-17(8-6-14)31-22-25-9-2-10-26-22;1-2-13-6-8-14(9-7-13)12-23-20-18(19(22)26)17(24-25-20)11-15-4-3-5-16(21)10-15;1-29-16-7-6-11(8-15(16)25(27)28)10-22-19-17(18(21)26)14(23-24-19)9-12-4-2-3-5-13(12)20;1-27-13-7-6-12(16(25)9-13)10-22-19-17(18(21)26)15(23-24-19)8-11-4-2-3-5-14(11)20;1-26-14-8-6-12(7-9-14)11-22-19-17(18(21)25)16(23-24-19)10-13-4-2-3-5-15(13)20;1-12-4-6-13(7-5-12)11-21-18-16(17(19)24)15(22-23-18)9-14-3-2-8-20-10-14/h2-9,11-13H,10H2,1H3,(H2,25,31)(H,29,30);1-11,13H,12H2,(H2,24,30)(H,28,29);3-10,12H,2,11H2,1H3,(H2,22,26)(H,24,25);2-8,10H,9H2,1H3,(H2,21,26)(H,23,24);2-7,9-10,25H,8H2,1H3,(H2,21,26)(H,23,24);2-9,11H,10H2,1H3,(H2,21,25)(H,23,24);2-8,10-11H,9H2,1H3,(H2,19,24)(H,22,23)/b26-13+;27-13+;23-12+;2*22-10+;22-11+;21-11+
InChIKeyKSBYFPLIYRIKCV-NFIAGFJOSA-N
MW2733.46 g/mol
LogP25.25
Rot. Bonds44

About 5-[(3-chlorophenyl)methyl]-3-[(4-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxy-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-(5-methylpyrimidin-2-yl)oxyphenyl]methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide

5-[(3-chlorophenyl)methyl]-3-[(4-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxy-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-(5-methylpyrimidin-2-yl)oxyphenyl]methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 159224280) has the molecular formula C140H122Cl6N34O15 and a molecular weight of 2733.46 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-3-[(4-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxy-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-(5-methylpyrimidin-2-yl)oxyphenyl]methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-3-[(4-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxy-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-(5-methylpyrimidin-2-yl)oxyphenyl]methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID159224280
Molecular FormulaC140H122Cl6N34O15
Molecular Weight2733.46 g/mol
Exact Mass2728.80
IUPAC Name5-[(3-chlorophenyl)methyl]-3-[(4-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxy-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-(5-methylpyrimidin-2-yl)oxyphenyl]methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCCc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1.COc1ccc(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C(N)=O)c(O)c1.COc1ccc(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C(N)=O)cc1.COc1ccc(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C(N)=O)cc1[N+](=O)[O-].Cc1ccc(/C=N/c2n[nH]c(Cc3cccnc3)c2C(N)=O)cc1.Cc1cnc(Oc2ccc(/C=N/c3n[nH]c(Cc4cccc(Cl)c4)c3C(N)=O)cc2)nc1.NC(=O)c1c(/N=C/c2ccc(Oc3ncccn3)cc2)n[nH]c1Cc1cccc(Cl)c1
InChIInChI=1S/C23H19ClN6O2.C22H17ClN6O2.C20H19ClN4O.C19H16ClN5O4.C19H17ClN4O3.C19H17ClN4O2.C18H17N5O/c1-14-11-27-23(28-12-14)32-18-7-5-15(6-8-18)13-26-22-20(21(25)31)19(29-30-22)10-16-3-2-4-17(24)9-16;23-16-4-1-3-15(11-16)12-18-19(20(24)30)21(29-28-18)27-13-14-5-7-17(8-6-14)31-22-25-9-2-10-26-22;1-2-13-6-8-14(9-7-13)12-23-20-18(19(22)26)17(24-25-20)11-15-4-3-5-16(21)10-15;1-29-16-7-6-11(8-15(16)25(27)28)10-22-19-17(18(21)26)14(23-24-19)9-12-4-2-3-5-13(12)20;1-27-13-7-6-12(16(25)9-13)10-22-19-17(18(21)26)15(23-24-19)8-11-4-2-3-5-14(11)20;1-26-14-8-6-12(7-9-14)11-22-19-17(18(21)25)16(23-24-19)10-13-4-2-3-5-15(13)20;1-12-4-6-13(7-5-12)11-21-18-16(17(19)24)15(22-23-18)9-14-3-2-8-20-10-14/h2-9,11-13H,10H2,1H3,(H2,25,31)(H,29,30);1-11,13H,12H2,(H2,24,30)(H,28,29);3-10,12H,2,11H2,1H3,(H2,22,26)(H,24,25);2-8,10H,9H2,1H3,(H2,21,26)(H,23,24);2-7,9-10,25H,8H2,1H3,(H2,21,26)(H,23,24);2-9,11H,10H2,1H3,(H2,21,25)(H,23,24);2-8,10-11H,9H2,1H3,(H2,19,24)(H,22,23)/b26-13+;27-13+;23-12+;2*22-10+;22-11+;21-11+
InChIKeyKSBYFPLIYRIKCV-NFIAGFJOSA-N
XLogP25.25
TPSA762.88 Ų
H-Bond Donors15
H-Bond Acceptors34
Rotatable Bonds44
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002733.46
LogP ≤ 525.25
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[(3-chlorophenyl)methyl]-3-[(4-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxy-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-(5-methylpyrimidin-2-yl)oxyphenyl]methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

3-[(2-chloro-6-hydroxyphenyl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-chloro-3-pyridinyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2,6-dimethoxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-propoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-propoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 157951686
5-[(3-chlorophenyl)methyl]-3-[(4-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxy-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-(5-methylpyrimidin-2-yl)oxyphenyl]methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 157958036
5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxy-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide
CID 159173162
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(2-chloro-6-fluorophenyl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(3-chloro-5-methylpyrazin-2-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3H-indazol-6-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(pyrazin-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 160891423
3-[(2-chloro-6-hydroxyphenyl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2,6-dimethoxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-propoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-propoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1H-pyrazole-4-carboxamide;3-[(2-chloro-3-pyridinyl)methylideneamino]-5-[(3-methylchloranuidylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 161275132

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-3-[(4-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxy-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-(5-methylpyrimidin-2-yl)oxyphenyl]methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-3-[(4-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxy-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-(5-methylpyrimidin-2-yl)oxyphenyl]methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide (CID 159224280) is 5-[(3-chlorophenyl)methyl]-3-[(4-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxy-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-(5-methylpyrimidin-2-yl)oxyphenyl]methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-3-[(4-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxy-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-(5-methylpyrimidin-2-yl)oxyphenyl]methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-3-[(4-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxy-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-(5-methylpyrimidin-2-yl)oxyphenyl]methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide is CCc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1.COc1ccc(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C(N)=O)c(O)c1.COc1ccc(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C(N)=O)cc1.COc1ccc(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C(N)=O)cc1[N+](=O)[O-].Cc1ccc(/C=N/c2n[nH]c(Cc3cccnc3)c2C(N)=O)cc1.Cc1cnc(Oc2ccc(/C=N/c3n[nH]c(Cc4cccc(Cl)c4)c3C(N)=O)cc2)nc1.NC(=O)c1c(/N=C/c2ccc(Oc3ncccn3)cc2)n[nH]c1Cc1cccc(Cl)c1.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-3-[(4-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxy-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-(5-methylpyrimidin-2-yl)oxyphenyl]methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is KSBYFPLIYRIKCV-NFIAGFJOSA-N. The full InChI is InChI=1S/C23H19ClN6O2.C22H17ClN6O2.C20H19ClN4O.C19H16ClN5O4.C19H17ClN4O3.C19H17ClN4O2.C18H17N5O/c1-14-11-27-23(28-12-14)32-18-7-5-15(6-8-18)13-26-22-20(21(25)31)19(29-30-22)10-16-3-2-4-17(24)9-16;23-16-4-1-3-15(11-16)12-18-19(20(24)30)21(29-28-18)27-13-14-5-7-17(8-6-14)31-22-25-9-2-10-26-22;1-2-13-6-8-14(9-7-13)12-23-20-18(19(22)26)17(24-25-20)11-15-4-3-5-16(21)10-15;1-29-16-7-6-11(8-15(16)25(27)28)10-22-19-17(18(21)26)14(23-24-19)9-12-4-2-3-5-13(12)20;1-27-13-7-6-12(16(25)9-13)10-22-19-17(18(21)26)15(23-24-19)8-11-4-2-3-5-14(11)20;1-26-14-8-6-12(7-9-14)11-22-19-17(18(21)25)16(23-24-19)10-13-4-2-3-5-15(13)20;1-12-4-6-13(7-5-12)11-21-18-16(17(19)24)15(22-23-18)9-14-3-2-8-20-10-14/h2-9,11-13H,10H2,1H3,(H2,25,31)(H,29,30);1-11,13H,12H2,(H2,24,30)(H,28,29);3-10,12H,2,11H2,1H3,(H2,22,26)(H,24,25);2-8,10H,9H2,1H3,(H2,21,26)(H,23,24);2-7,9-10,25H,8H2,1H3,(H2,21,26)(H,23,24);2-9,11H,10H2,1H3,(H2,21,25)(H,23,24);2-8,10-11H,9H2,1H3,(H2,19,24)(H,22,23)/b26-13+;27-13+;23-12+;2*22-10+;22-11+;21-11+.
What are the key properties of 5-[(3-chlorophenyl)methyl]-3-[(4-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxy-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-(5-methylpyrimidin-2-yl)oxyphenyl]methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide?
5-[(3-chlorophenyl)methyl]-3-[(4-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxy-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-(5-methylpyrimidin-2-yl)oxyphenyl]methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 2733.46 g/mol, XLogP of 25.25, 44 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-3-[(4-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxy-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-(5-methylpyrimidin-2-yl)oxyphenyl]methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 159224280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).