5-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1H-pyrazole-3-carboxamide

C18H16ClN3O2 — CID 154693145

IUPAC5-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(Cc2ccccc2Cl)[nH]n1
InChIInChI=1S/C18H16ClN3O2/c1-24-17-9-5-4-8-15(17)20-18(23)16-11-13(21-22-16)10-12-6-2-3-7-14(12)19/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyQBRMDIDRRFXLHZ-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.91
Rot. Bonds5

About 5-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1H-pyrazole-3-carboxamide

5-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1H-pyrazole-3-carboxamide (PubChem CID 154693145) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1H-pyrazole-3-carboxamide
PubChem CID154693145
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name5-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(Cc2ccccc2Cl)[nH]n1
InChIInChI=1S/C18H16ClN3O2/c1-24-17-9-5-4-8-15(17)20-18(23)16-11-13(21-22-16)10-12-6-2-3-7-14(12)19/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyQBRMDIDRRFXLHZ-UHFFFAOYSA-N
XLogP3.91
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
3-(2-chlorophenyl)-N-(2-methoxyphenyl)propanamide
CID 17178984
5-ethyl-N-[2-(2-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 39431668
N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741814
6-chloro-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 60859833
(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038326
(2S)-2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038325
6-N-(2-chlorophenyl)-2-N-[(2-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097991
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671416
4-amino-3,5-dichloro-N-(2-methoxyphenyl)benzamide
CID 82792962
N-(2-methoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691757
N-(2-methoxyphenyl)-3-[[2-(2-methylphenyl)acetyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67397393

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1H-pyrazole-3-carboxamide (CID 154693145) is 5-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1H-pyrazole-3-carboxamide is COc1ccccc1NC(=O)c1cc(Cc2ccccc2Cl)[nH]n1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is QBRMDIDRRFXLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-24-17-9-5-4-8-15(17)20-18(23)16-11-13(21-22-16)10-12-6-2-3-7-14(12)19/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 5-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1H-pyrazole-3-carboxamide?
5-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 154693145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).