3-(4-chlorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide

C27H23ClN6O2 — CID 134138877

IUPAC3-(4-chlorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(CNC(=O)c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)nn2)cc1
InChIInChI=1S/C27H23ClN6O2/c1-36-24-13-7-19(8-14-24)16-33-17-22(30-32-33)15-29-27(35)25-18-34(23-5-3-2-4-6-23)31-26(25)20-9-11-21(28)12-10-20/h2-14,17-18H,15-16H2,1H3,(H,29,35)
InChIKeyZEVWPNVXBHMOFC-UHFFFAOYSA-N
MW498.97 g/mol
LogP4.77
Rot. Bonds8

About 3-(4-chlorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide

3-(4-chlorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 134138877) has the molecular formula C27H23ClN6O2 and a molecular weight of 498.97 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID134138877
Molecular FormulaC27H23ClN6O2
Molecular Weight498.97 g/mol
Exact Mass498.16
IUPAC Name3-(4-chlorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(CNC(=O)c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)nn2)cc1
InChIInChI=1S/C27H23ClN6O2/c1-36-24-13-7-19(8-14-24)16-33-17-22(30-32-33)15-29-27(35)25-18-34(23-5-3-2-4-6-23)31-26(25)20-9-11-21(28)12-10-20/h2-14,17-18H,15-16H2,1H3,(H,29,35)
InChIKeyZEVWPNVXBHMOFC-UHFFFAOYSA-N
XLogP4.77
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.97
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxybenzyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 135523939
3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1217387
N-(2-(4-Ethoxybenzamido)ethyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 46884873
1-(4-Chlorophenyl)-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}ethyl)-3-(trifluoromethyl)-1Hpyrazole-4-carboxamide
CID 46884918
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 25162147
1-[3-[3-(4-Chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 46912850
3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70694213
3-(4-chlorophenyl)-N-[(4-methoxyphenyl)carbamothioyl]-1-phenylpyrazole-4-carboxamide
CID 72707728
N-[(4-chlorophenyl)carbamothioyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 72707855
N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 134133836
3-(4-chlorophenyl)-N-[[1-[(3,4-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 134133847
N-[[1-[(3,5-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 134136014

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide (CID 134138877) is 3-(4-chlorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide is COc1ccc(Cn2cc(CNC(=O)c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)nn2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is ZEVWPNVXBHMOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN6O2/c1-36-24-13-7-19(8-14-24)16-33-17-22(30-32-33)15-29-27(35)25-18-34(23-5-3-2-4-6-23)31-26(25)20-9-11-21(28)12-10-20/h2-14,17-18H,15-16H2,1H3,(H,29,35).
What are the key properties of 3-(4-chlorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide?
3-(4-chlorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 498.97 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 134138877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).