5-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide

C18H16ClN3O2 — CID 2047123

IUPAC5-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1c(C)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C18H16ClN3O2/c1-12-16(17(19)22(21-12)13-8-4-3-5-9-13)18(23)20-14-10-6-7-11-15(14)24-2/h3-11H,1-2H3,(H,20,23)
InChIKeyYCUKSKYSHUWPIQ-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.10
Rot. Bonds4

About 5-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide

5-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 2047123) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID2047123
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name5-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1c(C)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C18H16ClN3O2/c1-12-16(17(19)22(21-12)13-8-4-3-5-9-13)18(23)20-14-10-6-7-11-15(14)24-2/h3-11H,1-2H3,(H,20,23)
InChIKeyYCUKSKYSHUWPIQ-UHFFFAOYSA-N
XLogP4.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 679804
N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850331
5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 4293116
3,6-dichloro-N-(2-methoxyphenyl)pyridazine-4-carboxamide
CID 6401431
1-(5-chloro-2-methoxyphenyl)-3-propyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 713301
1-benzyl-5-chloro-N-(2-methoxy-5-methylphenyl)-3-methylpyrazole-4-carboxamide
CID 2090618
3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2-cyano-N-(2-ethoxyphenyl)prop-2-enamide
CID 2093138
1-benzyl-5-chloro-3-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 2118839
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2243676
3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-cyano-N-(2-ethoxyphenyl)prop-2-enamide
CID 2419654
1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 2489518
5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
CID 24980313

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide (CID 2047123) is 5-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide is COc1ccccc1NC(=O)c1c(C)nn(-c2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is YCUKSKYSHUWPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-12-16(17(19)22(21-12)13-8-4-3-5-9-13)18(23)20-14-10-6-7-11-15(14)24-2/h3-11H,1-2H3,(H,20,23).
What are the key properties of 5-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
5-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2047123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).