N-(5-methyl-1H-pyrazol-3-yl)butanamide

C8H13N3O — CID 5330971

IUPACN-(5-methyl-1H-pyrazol-3-yl)butanamide
SMILESCCCC(=O)Nc1cc(C)[nH]n1
InChIInChI=1S/C8H13N3O/c1-3-4-8(12)9-7-5-6(2)10-11-7/h5H,3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyIQYBHMKYFRRQDL-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.46
Rot. Bonds3

About N-(5-methyl-1H-pyrazol-3-yl)butanamide

N-(5-methyl-1H-pyrazol-3-yl)butanamide (PubChem CID 5330971) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)butanamide
PubChem CID5330971
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)butanamide
SMILESCCCC(=O)Nc1cc(C)[nH]n1
InChIInChI=1S/C8H13N3O/c1-3-4-8(12)9-7-5-6(2)10-11-7/h5H,3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyIQYBHMKYFRRQDL-UHFFFAOYSA-N
XLogP1.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)butanamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)butanamide (CID 5330971) is N-(5-methyl-1H-pyrazol-3-yl)butanamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)butanamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)butanamide is CCCC(=O)Nc1cc(C)[nH]n1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)butanamide?
The InChIKey is IQYBHMKYFRRQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-4-8(12)9-7-5-6(2)10-11-7/h5H,3-4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)butanamide?
N-(5-methyl-1H-pyrazol-3-yl)butanamide has a molecular weight of 167.21 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)butanamide is sourced from PubChem (CID 5330971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).