1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide

C17H19ClN4O2 — CID 146124206

IUPAC1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide
SMILESCc1cn(-c2ccccc2Cl)nc1C(=O)NC1CCCCNC1=O
InChIInChI=1S/C17H19ClN4O2/c1-11-10-22(14-8-3-2-6-12(14)18)21-15(11)17(24)20-13-7-4-5-9-19-16(13)23/h2-3,6,8,10,13H,4-5,7,9H2,1H3,(H,19,23)(H,20,24)
InChIKeyBWZROOILJOUNDX-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.23
Rot. Bonds3

About 1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide

1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide (PubChem CID 146124206) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide
PubChem CID146124206
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide
SMILESCc1cn(-c2ccccc2Cl)nc1C(=O)NC1CCCCNC1=O
InChIInChI=1S/C17H19ClN4O2/c1-11-10-22(14-8-3-2-6-12(14)18)21-15(11)17(24)20-13-7-4-5-9-19-16(13)23/h2-3,6,8,10,13H,4-5,7,9H2,1H3,(H,19,23)(H,20,24)
InChIKeyBWZROOILJOUNDX-UHFFFAOYSA-N
XLogP2.23
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-[(2-chlorobenzoyl)amino]-1-methyl-N-[(3R)-2-oxoazepan-3-yl]pyrazole-3-carboxamide
CID 58770197
2-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 47478270
4-bromo-5-[(2-chlorobenzoyl)amino]-N-(2-oxoazepan-3-yl)-1-phenylpyrazole-3-carboxamide
CID 11432555
2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-2-cyclopropylacetic acid
CID 120521274
2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]benzoic acid
CID 6930768
2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-3-methylbutanoic acid
CID 120513335
N-[(3S)-2-oxoazepan-3-yl]-2-(2-phenylimidazol-1-yl)acetamide
CID 97147991
2-[2-[(2-oxopiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79331753
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
N-(2-oxoazepan-3-yl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 51089154
5-chloro-N-[(3R)-2-oxopiperidin-3-yl]thiophene-2-carboxamide
CID 95048356
5-methyl-1-(4-methylphenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide
CID 146126262

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide (CID 146124206) is 1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide is Cc1cn(-c2ccccc2Cl)nc1C(=O)NC1CCCCNC1=O.
What is the InChIKey of 1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide?
The InChIKey is BWZROOILJOUNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-11-10-22(14-8-3-2-6-12(14)18)21-15(11)17(24)20-13-7-4-5-9-19-16(13)23/h2-3,6,8,10,13H,4-5,7,9H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide?
1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 146124206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).