N-[3-[(2-methoxybenzoyl)amino]phenyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide

C21H22N4O3 — CID 46995504

IUPACN-[3-[(2-methoxybenzoyl)amino]phenyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
SMILESCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2cn[nH]c2C(C)C)c1
InChIInChI=1S/C21H22N4O3/c1-13(2)19-17(12-22-25-19)21(27)24-15-8-6-7-14(11-15)23-20(26)16-9-4-5-10-18(16)28-3/h4-13H,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyQHIZCNVLPNZICJ-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.05
Rot. Bonds6

About N-[3-[(2-methoxybenzoyl)amino]phenyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide

N-[3-[(2-methoxybenzoyl)amino]phenyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 46995504) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[3-[(2-methoxybenzoyl)amino]phenyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-methoxybenzoyl)amino]phenyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
PubChem CID46995504
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[3-[(2-methoxybenzoyl)amino]phenyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
SMILESCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2cn[nH]c2C(C)C)c1
InChIInChI=1S/C21H22N4O3/c1-13(2)19-17(12-22-25-19)21(27)24-15-8-6-7-14(11-15)23-20(26)16-9-4-5-10-18(16)28-3/h4-13H,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyQHIZCNVLPNZICJ-UHFFFAOYSA-N
XLogP4.05
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 108933228
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CID 38397232
N-[4-(3-acetamidoanilino)phenyl]-2-methoxybenzamide
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N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
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N-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide
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N-[3-(cyclopentanecarbonylamino)phenyl]-2-methoxybenzamide
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methyl 3-[4-[(5-propan-2-yl-1H-pyrazole-4-carbonyl)amino]phenyl]butanoate
CID 119035906
N-[3-(cyclohexanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880083
(2S)-N-[3-[(2-methoxybenzoyl)amino]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 46997763
2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659
N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 79503659
2-[(2-methoxybenzoyl)amino]-N-(3-methylsulfonylphenyl)benzamide
CID 90010848

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxybenzoyl)amino]phenyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[3-[(2-methoxybenzoyl)amino]phenyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide (CID 46995504) is N-[3-[(2-methoxybenzoyl)amino]phenyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-[(2-methoxybenzoyl)amino]phenyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[3-[(2-methoxybenzoyl)amino]phenyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide is COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cn[nH]c2C(C)C)c1.
What is the InChIKey of N-[3-[(2-methoxybenzoyl)amino]phenyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is QHIZCNVLPNZICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13(2)19-17(12-22-25-19)21(27)24-15-8-6-7-14(11-15)23-20(26)16-9-4-5-10-18(16)28-3/h4-13H,1-3H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-[3-[(2-methoxybenzoyl)amino]phenyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide?
N-[3-[(2-methoxybenzoyl)amino]phenyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxybenzoyl)amino]phenyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 46995504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).