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

C18H22N4O2 — CID 146126262

IUPAC5-methyl-1-(4-methylphenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NC3CCCCNC3=O)cc2C)cc1
InChIInChI=1S/C18H22N4O2/c1-12-6-8-14(9-7-12)22-13(2)11-16(21-22)18(24)20-15-5-3-4-10-19-17(15)23/h6-9,11,15H,3-5,10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyQELRSLWZLQXTTJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.89
Rot. Bonds3

About 5-methyl-1-(4-methylphenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide

5-methyl-1-(4-methylphenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide (PubChem CID 146126262) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-methyl-1-(4-methylphenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(4-methylphenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide
PubChem CID146126262
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-methyl-1-(4-methylphenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NC3CCCCNC3=O)cc2C)cc1
InChIInChI=1S/C18H22N4O2/c1-12-6-8-14(9-7-12)22-13(2)11-16(21-22)18(24)20-15-5-3-4-10-19-17(15)23/h6-9,11,15H,3-5,10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyQELRSLWZLQXTTJ-UHFFFAOYSA-N
XLogP1.89
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-3-[(3S)-2-oxoazepan-3-yl]urea
CID 97335863
1-tert-butyl-5-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide
CID 94517659
1-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(2-oxoazepan-3-yl)pyrazole-5-carboxamide
CID 5041512
3-(4-methylphenyl)-N-(2-oxoazepan-3-yl)propanamide
CID 47031035
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(3R)-2-oxoazepan-3-yl]pyrazole-5-carboxamide
CID 1053817
1-(3-methylphenyl)-N-(2-oxoazepan-3-yl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762100
1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-oxoazepan-3-yl)pyrazole-5-carboxamide
CID 3891235
6-imidazol-1-yl-4-methyl-N-[(3R)-2-oxopiperidin-3-yl]pyridine-2-carboxamide
CID 170610802
1-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120515048
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
3-methyl-N-(2-oxoazepan-3-yl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 71937894
N-[(3R)-2-oxoazepan-3-yl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide
CID 129339806

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methylphenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-1-(4-methylphenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide (CID 146126262) is 5-methyl-1-(4-methylphenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-1-(4-methylphenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-1-(4-methylphenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)NC3CCCCNC3=O)cc2C)cc1.
What is the InChIKey of 5-methyl-1-(4-methylphenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide?
The InChIKey is QELRSLWZLQXTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-6-8-14(9-7-12)22-13(2)11-16(21-22)18(24)20-15-5-3-4-10-19-17(15)23/h6-9,11,15H,3-5,10H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 5-methyl-1-(4-methylphenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide?
5-methyl-1-(4-methylphenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylphenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 146126262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).