5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(3-methoxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[2-(2-oxopropoxy)phenyl]methylideneamino]-1H-pyrazole-4-carboxamide

C99H91Cl5N20O10 — CID 161477540

IUPAC5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(3-methoxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[2-(2-oxopropoxy)phenyl]methylideneamino]-1H-pyrazole-4-carboxamide
SMILESCC(=O)COc1ccccc1/C=N/c1n[nH]c(Cc2cccc(Cl)c2)c1C(N)=O.CCc1cccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C(N)=O)c1.COc1cc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C(N)=O)ccc1C.COc1ccccc1/C=N/c1n[nH]c(Cc2ccc(Cl)cc2)c1C(N)=O.Cc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)c(O)c1
InChIInChI=1S/C21H19ClN4O3.C20H19ClN4O2.C20H19ClN4O.2C19H17ClN4O2/c1-13(27)12-29-18-8-3-2-6-15(18)11-24-21-19(20(23)28)17(25-26-21)10-14-5-4-7-16(22)9-14;1-12-3-4-14(10-17(12)27-2)11-23-20-18(19(22)26)16(24-25-20)9-13-5-7-15(21)8-6-13;1-2-13-4-3-5-15(10-13)12-23-20-18(19(22)26)17(24-25-20)11-14-6-8-16(21)9-7-14;1-11-5-6-13(16(25)7-11)10-22-19-17(18(21)26)15(23-24-19)9-12-3-2-4-14(20)8-12;1-26-16-5-3-2-4-13(16)11-22-19-17(18(21)25)15(23-24-19)10-12-6-8-14(20)9-7-12/h2-9,11H,10,12H2,1H3,(H2,23,28)(H,25,26);3-8,10-11H,9H2,1-2H3,(H2,22,26)(H,24,25);3-10,12H,2,11H2,1H3,(H2,22,26)(H,24,25);2-8,10,25H,9H2,1H3,(H2,21,26)(H,23,24);2-9,11H,10H2,1H3,(H2,21,25)(H,23,24)/b24-11+;23-11+;23-12+;22-10+;22-11+
InChIKeyWDXJREKEKNPYFE-NKUXAFHXSA-N
MW1898.21 g/mol
LogP18.39
Rot. Bonds31

About 5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(3-methoxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[2-(2-oxopropoxy)phenyl]methylideneamino]-1H-pyrazole-4-carboxamide

5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(3-methoxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[2-(2-oxopropoxy)phenyl]methylideneamino]-1H-pyrazole-4-carboxamide (PubChem CID 161477540) has the molecular formula C99H91Cl5N20O10 and a molecular weight of 1898.21 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(3-methoxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[2-(2-oxopropoxy)phenyl]methylideneamino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(3-methoxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[2-(2-oxopropoxy)phenyl]methylideneamino]-1H-pyrazole-4-carboxamide
PubChem CID161477540
Molecular FormulaC99H91Cl5N20O10
Molecular Weight1898.21 g/mol
Exact Mass1894.57
IUPAC Name5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(3-methoxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[2-(2-oxopropoxy)phenyl]methylideneamino]-1H-pyrazole-4-carboxamide
SMILESCC(=O)COc1ccccc1/C=N/c1n[nH]c(Cc2cccc(Cl)c2)c1C(N)=O.CCc1cccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C(N)=O)c1.COc1cc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C(N)=O)ccc1C.COc1ccccc1/C=N/c1n[nH]c(Cc2ccc(Cl)cc2)c1C(N)=O.Cc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)c(O)c1
InChIInChI=1S/C21H19ClN4O3.C20H19ClN4O2.C20H19ClN4O.2C19H17ClN4O2/c1-13(27)12-29-18-8-3-2-6-15(18)11-24-21-19(20(23)28)17(25-26-21)10-14-5-4-7-16(22)9-14;1-12-3-4-14(10-17(12)27-2)11-23-20-18(19(22)26)16(24-25-20)9-13-5-7-15(21)8-6-13;1-2-13-4-3-5-15(10-13)12-23-20-18(19(22)26)17(24-25-20)11-14-6-8-16(21)9-7-14;1-11-5-6-13(16(25)7-11)10-22-19-17(18(21)26)15(23-24-19)9-12-3-2-4-14(20)8-12;1-26-16-5-3-2-4-13(16)11-22-19-17(18(21)25)15(23-24-19)10-12-6-8-14(20)9-7-12/h2-9,11H,10,12H2,1H3,(H2,23,28)(H,25,26);3-8,10-11H,9H2,1-2H3,(H2,22,26)(H,24,25);3-10,12H,2,11H2,1H3,(H2,22,26)(H,24,25);2-8,10,25H,9H2,1H3,(H2,21,26)(H,23,24);2-9,11H,10H2,1H3,(H2,21,25)(H,23,24)/b24-11+;23-11+;23-12+;22-10+;22-11+
InChIKeyWDXJREKEKNPYFE-NKUXAFHXSA-N
XLogP18.39
TPSA485.64 Ų
H-Bond Donors11
H-Bond Acceptors20
Rotatable Bonds31
Heavy Atoms134
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001898.21
LogP ≤ 518.39
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(3-methoxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[2-(2-oxopropoxy)phenyl]methylideneamino]-1H-pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(3-methoxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[2-(2-oxopropoxy)phenyl]methylideneamino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(3-methoxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[2-(2-oxopropoxy)phenyl]methylideneamino]-1H-pyrazole-4-carboxamide (CID 161477540) is 5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(3-methoxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[2-(2-oxopropoxy)phenyl]methylideneamino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(3-methoxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[2-(2-oxopropoxy)phenyl]methylideneamino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(3-methoxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[2-(2-oxopropoxy)phenyl]methylideneamino]-1H-pyrazole-4-carboxamide is CC(=O)COc1ccccc1/C=N/c1n[nH]c(Cc2cccc(Cl)c2)c1C(N)=O.CCc1cccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C(N)=O)c1.COc1cc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C(N)=O)ccc1C.COc1ccccc1/C=N/c1n[nH]c(Cc2ccc(Cl)cc2)c1C(N)=O.Cc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)c(O)c1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(3-methoxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[2-(2-oxopropoxy)phenyl]methylideneamino]-1H-pyrazole-4-carboxamide?
The InChIKey is WDXJREKEKNPYFE-NKUXAFHXSA-N. The full InChI is InChI=1S/C21H19ClN4O3.C20H19ClN4O2.C20H19ClN4O.2C19H17ClN4O2/c1-13(27)12-29-18-8-3-2-6-15(18)11-24-21-19(20(23)28)17(25-26-21)10-14-5-4-7-16(22)9-14;1-12-3-4-14(10-17(12)27-2)11-23-20-18(19(22)26)16(24-25-20)9-13-5-7-15(21)8-6-13;1-2-13-4-3-5-15(10-13)12-23-20-18(19(22)26)17(24-25-20)11-14-6-8-16(21)9-7-14;1-11-5-6-13(16(25)7-11)10-22-19-17(18(21)26)15(23-24-19)9-12-3-2-4-14(20)8-12;1-26-16-5-3-2-4-13(16)11-22-19-17(18(21)25)15(23-24-19)10-12-6-8-14(20)9-7-12/h2-9,11H,10,12H2,1H3,(H2,23,28)(H,25,26);3-8,10-11H,9H2,1-2H3,(H2,22,26)(H,24,25);3-10,12H,2,11H2,1H3,(H2,22,26)(H,24,25);2-8,10,25H,9H2,1H3,(H2,21,26)(H,23,24);2-9,11H,10H2,1H3,(H2,21,25)(H,23,24)/b24-11+;23-11+;23-12+;22-10+;22-11+.
What are the key properties of 5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(3-methoxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[2-(2-oxopropoxy)phenyl]methylideneamino]-1H-pyrazole-4-carboxamide?
5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(3-methoxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[2-(2-oxopropoxy)phenyl]methylideneamino]-1H-pyrazole-4-carboxamide has a molecular weight of 1898.21 g/mol, XLogP of 18.39, 31 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(3-methoxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[2-(2-oxopropoxy)phenyl]methylideneamino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 161477540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).