4-methyl-N-(1H-pyrazol-4-yl)pentanamide

C9H15N3O — CID 43429753

IUPAC4-methyl-N-(1H-pyrazol-4-yl)pentanamide
SMILESCC(C)CCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H15N3O/c1-7(2)3-4-9(13)12-8-5-10-11-6-8/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyZYLVTUSIOVAQRR-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.78
Rot. Bonds4

About 4-methyl-N-(1H-pyrazol-4-yl)pentanamide

4-methyl-N-(1H-pyrazol-4-yl)pentanamide (PubChem CID 43429753) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-methyl-N-(1H-pyrazol-4-yl)pentanamide.

Molecular Properties

Compound Name4-methyl-N-(1H-pyrazol-4-yl)pentanamide
PubChem CID43429753
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-methyl-N-(1H-pyrazol-4-yl)pentanamide
SMILESCC(C)CCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H15N3O/c1-7(2)3-4-9(13)12-8-5-10-11-6-8/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyZYLVTUSIOVAQRR-UHFFFAOYSA-N
XLogP1.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Acetylaminopyrazole
CID 12346894
N-(1H-pyrazol-4-yl)but-2-ynamide hydrochloride
CID 155820287
1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide hydrochloride
CID 165469821
3-amino-2-methyl-N-(1H-pyrazol-4-yl)propanamide
CID 54592830
N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006229
3-(4-methylpentan-2-yloxy)-N-(1H-pyrazol-4-yl)propanamide
CID 71922141
4-methyl-2-(2-oxopiperidin-1-yl)-N-(1H-pyrazol-4-yl)pentanamide
CID 71972608
3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide
CID 126789290
N-(1H-pyrazol-4-yl)cyclohexanecarboxamide
CID 43429406
N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60506980
4,4,4-trifluoro-N-(1H-pyrazol-4-yl)butanamide
CID 65711581
1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
CID 81179351

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1H-pyrazol-4-yl)pentanamide?
The IUPAC name of 4-methyl-N-(1H-pyrazol-4-yl)pentanamide (CID 43429753) is 4-methyl-N-(1H-pyrazol-4-yl)pentanamide.
What is the SMILES notation for 4-methyl-N-(1H-pyrazol-4-yl)pentanamide?
The canonical SMILES for 4-methyl-N-(1H-pyrazol-4-yl)pentanamide is CC(C)CCC(=O)Nc1cn[nH]c1.
What is the InChIKey of 4-methyl-N-(1H-pyrazol-4-yl)pentanamide?
The InChIKey is ZYLVTUSIOVAQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)3-4-9(13)12-8-5-10-11-6-8/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 4-methyl-N-(1H-pyrazol-4-yl)pentanamide?
4-methyl-N-(1H-pyrazol-4-yl)pentanamide has a molecular weight of 181.24 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1H-pyrazol-4-yl)pentanamide is sourced from PubChem (CID 43429753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).