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

C135H118Cl6N32O15 — CID 159173162

IUPAC5-[(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
SMILESCOc1ccc(/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(Cc3ccccc3Cl)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3cccnc3)c2C(N)=O)cc1.NC(=O)c1c(/N=C/c2ccc(Oc3ncccn3)cc2)n[nH]c1Cc1cccc(Cl)c1
InChIInChI=1S/C22H17ClN6O2.C19H16ClN5O4.C19H17ClN4O3.2C19H17ClN4O2.C19H17ClN4O.C18H17N5O/c23-16-4-1-3-15(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;1-29-16-7-6-11(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;1-26-15-7-5-12(6-8-15)11-22-19-17(18(21)25)16(23-24-19)10-13-3-2-4-14(20)9-13;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;1-12-6-8-13(9-7-12)11-22-19-17(18(21)25)16(23-24-19)10-14-4-2-3-5-15(14)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/h1-11,13H,12H2,(H2,24,30)(H,28,29);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*2-9,11H,10H2,1H3,(H2,21,25)(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)/b27-13+;2*22-10+;3*22-11+;21-11+
InChIKeyKLYFAKPZTARRBM-LQBKBJNMSA-N
MW2641.36 g/mol
LogP24.11
Rot. Bonds42

About 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

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 (PubChem CID 159173162) has the molecular formula C135H118Cl6N32O15 and a molecular weight of 2641.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[(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
PubChem CID159173162
Molecular FormulaC135H118Cl6N32O15
Molecular Weight2641.36 g/mol
Exact Mass2636.76
IUPAC Name5-[(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
SMILESCOc1ccc(/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(Cc3ccccc3Cl)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3cccnc3)c2C(N)=O)cc1.NC(=O)c1c(/N=C/c2ccc(Oc3ncccn3)cc2)n[nH]c1Cc1cccc(Cl)c1
InChIInChI=1S/C22H17ClN6O2.C19H16ClN5O4.C19H17ClN4O3.2C19H17ClN4O2.C19H17ClN4O.C18H17N5O/c23-16-4-1-3-15(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;1-29-16-7-6-11(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;1-26-15-7-5-12(6-8-15)11-22-19-17(18(21)25)16(23-24-19)10-13-3-2-4-14(20)9-13;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;1-12-6-8-13(9-7-12)11-22-19-17(18(21)25)16(23-24-19)10-14-4-2-3-5-15(14)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/h1-11,13H,12H2,(H2,24,30)(H,28,29);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*2-9,11H,10H2,1H3,(H2,21,25)(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)/b27-13+;2*22-10+;3*22-11+;21-11+
InChIKeyKLYFAKPZTARRBM-LQBKBJNMSA-N
XLogP24.11
TPSA737.10 Ų
H-Bond Donors15
H-Bond Acceptors32
Rotatable Bonds42
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002641.36
LogP ≤ 524.11
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1032

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-[(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 with MolForge

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Related Compounds

3-(benzylideneamino)-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-6-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide)
CID 157122249
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-[(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
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-[(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(/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(Cc3ccccc3Cl)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3cccnc3)c2C(N)=O)cc1.NC(=O)c1c(/N=C/c2ccc(Oc3ncccn3)cc2)n[nH]c1Cc1cccc(Cl)c1.
What is the InChIKey of 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?
The InChIKey is KLYFAKPZTARRBM-LQBKBJNMSA-N. The full InChI is InChI=1S/C22H17ClN6O2.C19H16ClN5O4.C19H17ClN4O3.2C19H17ClN4O2.C19H17ClN4O.C18H17N5O/c23-16-4-1-3-15(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;1-29-16-7-6-11(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;1-26-15-7-5-12(6-8-15)11-22-19-17(18(21)25)16(23-24-19)10-13-3-2-4-14(20)9-13;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;1-12-6-8-13(9-7-12)11-22-19-17(18(21)25)16(23-24-19)10-14-4-2-3-5-15(14)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/h1-11,13H,12H2,(H2,24,30)(H,28,29);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*2-9,11H,10H2,1H3,(H2,21,25)(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)/b27-13+;2*22-10+;3*22-11+;21-11+.
What are the key properties of 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?
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 has a molecular weight of 2641.36 g/mol, XLogP of 24.11, 42 rotatable bonds, 15 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159173162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).