N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide

C9H15N3O — CID 740336

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
SMILESCCCC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C9H15N3O/c1-4-5-8(13)10-9-6(2)11-12-7(9)3/h4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyYCTQOGOFEYWARP-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.77
Rot. Bonds3

About N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide (PubChem CID 740336) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
PubChem CID740336
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
SMILESCCCC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C9H15N3O/c1-4-5-8(13)10-9-6(2)11-12-7(9)3/h4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyYCTQOGOFEYWARP-UHFFFAOYSA-N
XLogP1.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide (CID 740336) is N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide is CCCC(=O)Nc1c(C)n[nH]c1C.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide?
The InChIKey is YCTQOGOFEYWARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-5-8(13)10-9-6(2)11-12-7(9)3/h4-5H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide has a molecular weight of 181.24 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 740336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).