3-(2-methoxyphenyl)-1-phenyl-N-pyridin-4-ylpyrazole-4-carboxamide

C22H18N4O2 — CID 30157703

IUPAC3-(2-methoxyphenyl)-1-phenyl-N-pyridin-4-ylpyrazole-4-carboxamide
SMILESCOc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccncc1
InChIInChI=1S/C22H18N4O2/c1-28-20-10-6-5-9-18(20)21-19(22(27)24-16-11-13-23-14-12-16)15-26(25-21)17-7-3-2-4-8-17/h2-15H,1H3,(H,23,24,27)
InChIKeyHICZBWVBWLDPBO-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.20
Rot. Bonds5

About 3-(2-methoxyphenyl)-1-phenyl-N-pyridin-4-ylpyrazole-4-carboxamide

3-(2-methoxyphenyl)-1-phenyl-N-pyridin-4-ylpyrazole-4-carboxamide (PubChem CID 30157703) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-phenyl-N-pyridin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-phenyl-N-pyridin-4-ylpyrazole-4-carboxamide
PubChem CID30157703
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name3-(2-methoxyphenyl)-1-phenyl-N-pyridin-4-ylpyrazole-4-carboxamide
SMILESCOc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccncc1
InChIInChI=1S/C22H18N4O2/c1-28-20-10-6-5-9-18(20)21-19(22(27)24-16-11-13-23-14-12-16)15-26(25-21)17-7-3-2-4-8-17/h2-15H,1H3,(H,23,24,27)
InChIKeyHICZBWVBWLDPBO-UHFFFAOYSA-N
XLogP4.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 8744666
3-(2-methoxyphenyl)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 8760149
N-[4-(diethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 34544116
3-(2-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylpyrazole-4-carboxamide
CID 35606382
3-(2-methoxyphenyl)-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-phenylpyrazole-4-carboxamide
CID 55451977
4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224
N-(3-hydroxypropyl)-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78796345
3-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-phenylpyrazole-4-carboxamide
CID 41104750
3-(2-methoxyphenyl)-1-phenyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide
CID 32947167
N-(3-acetylphenyl)-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 29206588
3-(2-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenylpyrazole-4-carboxamide
CID 9301390
3-(2-methoxyphenyl)-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 31340329

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-phenyl-N-pyridin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-1-phenyl-N-pyridin-4-ylpyrazole-4-carboxamide (CID 30157703) is 3-(2-methoxyphenyl)-1-phenyl-N-pyridin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-phenyl-N-pyridin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-1-phenyl-N-pyridin-4-ylpyrazole-4-carboxamide is COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccncc1.
What is the InChIKey of 3-(2-methoxyphenyl)-1-phenyl-N-pyridin-4-ylpyrazole-4-carboxamide?
The InChIKey is HICZBWVBWLDPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-28-20-10-6-5-9-18(20)21-19(22(27)24-16-11-13-23-14-12-16)15-26(25-21)17-7-3-2-4-8-17/h2-15H,1H3,(H,23,24,27).
What are the key properties of 3-(2-methoxyphenyl)-1-phenyl-N-pyridin-4-ylpyrazole-4-carboxamide?
3-(2-methoxyphenyl)-1-phenyl-N-pyridin-4-ylpyrazole-4-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-phenyl-N-pyridin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 30157703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).