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

C9H15N3O — CID 43430720

IUPAC2-methyl-N-(1H-pyrazol-4-yl)pentanamide
SMILESCCCC(C)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H15N3O/c1-3-4-7(2)9(13)12-8-5-10-11-6-8/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyKMKINYZFUPCYBS-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.78
Rot. Bonds4

About 2-methyl-N-(1H-pyrazol-4-yl)pentanamide

2-methyl-N-(1H-pyrazol-4-yl)pentanamide (PubChem CID 43430720) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-methyl-N-(1H-pyrazol-4-yl)pentanamide.

Molecular Properties

Compound Name2-methyl-N-(1H-pyrazol-4-yl)pentanamide
PubChem CID43430720
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-methyl-N-(1H-pyrazol-4-yl)pentanamide
SMILESCCCC(C)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H15N3O/c1-3-4-7(2)9(13)12-8-5-10-11-6-8/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyKMKINYZFUPCYBS-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-pyrazol-4-yl)pentanamide?
The IUPAC name of 2-methyl-N-(1H-pyrazol-4-yl)pentanamide (CID 43430720) is 2-methyl-N-(1H-pyrazol-4-yl)pentanamide.
What is the SMILES notation for 2-methyl-N-(1H-pyrazol-4-yl)pentanamide?
The canonical SMILES for 2-methyl-N-(1H-pyrazol-4-yl)pentanamide is CCCC(C)C(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-methyl-N-(1H-pyrazol-4-yl)pentanamide?
The InChIKey is KMKINYZFUPCYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-4-7(2)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 2-methyl-N-(1H-pyrazol-4-yl)pentanamide?
2-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 2-methyl-N-(1H-pyrazol-4-yl)pentanamide is sourced from PubChem (CID 43430720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).