N-(azepan-4-yl)-2-methylpyrazole-3-carboxamide

C11H18N4O — CID 105059420

IUPACN-(azepan-4-yl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCCNCC1
InChIInChI=1S/C11H18N4O/c1-15-10(5-8-13-15)11(16)14-9-3-2-6-12-7-4-9/h5,8-9,12H,2-4,6-7H2,1H3,(H,14,16)
InChIKeyUMXRTIWMKXPSJK-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.29
Rot. Bonds2

About N-(azepan-4-yl)-2-methylpyrazole-3-carboxamide

N-(azepan-4-yl)-2-methylpyrazole-3-carboxamide (PubChem CID 105059420) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(azepan-4-yl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-2-methylpyrazole-3-carboxamide
PubChem CID105059420
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(azepan-4-yl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCCNCC1
InChIInChI=1S/C11H18N4O/c1-15-10(5-8-13-15)11(16)14-9-3-2-6-12-7-4-9/h5,8-9,12H,2-4,6-7H2,1H3,(H,14,16)
InChIKeyUMXRTIWMKXPSJK-UHFFFAOYSA-N
XLogP0.29
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 106995091
2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide
CID 62920465
4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 54921251
N-(3-fluorocyclopentyl)-2-methylpyrazole-3-carboxamide
CID 126790932
N-[(1S,3R)-3-fluorocyclopentyl]-2-methylpyrazole-3-carboxamide
CID 129348902
N-[(4S)-azepan-4-yl]benzamide
CID 146196053
(2-methylpyrazol-3-yl)-pyrrolidin-3-ylmethanone
CID 116568222
2-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyrazole-3-carboxamide
CID 124573399
N-(azepan-4-yl)-4-nitro-1-propan-2-ylpyrrole-2-carboxamide
CID 107172299
3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide
CID 119389510
N-(azepan-4-yl)-4-methylsulfonylbenzamide
CID 105059657
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide
CID 47084312

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(azepan-4-yl)-2-methylpyrazole-3-carboxamide (CID 105059420) is N-(azepan-4-yl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(azepan-4-yl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(azepan-4-yl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NC1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-2-methylpyrazole-3-carboxamide?
The InChIKey is UMXRTIWMKXPSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15-10(5-8-13-15)11(16)14-9-3-2-6-12-7-4-9/h5,8-9,12H,2-4,6-7H2,1H3,(H,14,16).
What are the key properties of N-(azepan-4-yl)-2-methylpyrazole-3-carboxamide?
N-(azepan-4-yl)-2-methylpyrazole-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 105059420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).