3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide

C18H16ClN3O2 — CID 19509351

IUPAC3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C18H16ClN3O2/c1-11-3-8-17(24-2)15(9-11)20-18(23)16-10-14(21-22-16)12-4-6-13(19)7-5-12/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyPTHBKOGFLCJROI-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.30
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19509351) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19509351
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C18H16ClN3O2/c1-11-3-8-17(24-2)15(9-11)20-18(23)16-10-14(21-22-16)12-4-6-13(19)7-5-12/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyPTHBKOGFLCJROI-UHFFFAOYSA-N
XLogP4.30
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19514461
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 26069017
3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 19509413
3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513234
N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508782
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 30000054
3-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 24531993
N-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509699
2,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 965623
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate
CID 19296166
3-(4-chlorophenyl)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6866068

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide (CID 19509351) is 3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(C)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is PTHBKOGFLCJROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-11-3-8-17(24-2)15(9-11)20-18(23)16-10-14(21-22-16)12-4-6-13(19)7-5-12/h3-10H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19509351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).