N-(1,3-dimethylpyrazol-4-yl)butanamide

C9H15N3O — CID 19346273

IUPACN-(1,3-dimethylpyrazol-4-yl)butanamide
SMILESCCCC(=O)Nc1cn(C)nc1C
InChIInChI=1S/C9H15N3O/c1-4-5-9(13)10-8-6-12(3)11-7(8)2/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyRIGKWOCBILTWBX-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.47
Rot. Bonds3

About N-(1,3-dimethylpyrazol-4-yl)butanamide

N-(1,3-dimethylpyrazol-4-yl)butanamide (PubChem CID 19346273) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)butanamide
PubChem CID19346273
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)butanamide
SMILESCCCC(=O)Nc1cn(C)nc1C
InChIInChI=1S/C9H15N3O/c1-4-5-9(13)10-8-6-12(3)11-7(8)2/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyRIGKWOCBILTWBX-UHFFFAOYSA-N
XLogP1.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)butanamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)butanamide (CID 19346273) is N-(1,3-dimethylpyrazol-4-yl)butanamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)butanamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)butanamide is CCCC(=O)Nc1cn(C)nc1C.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)butanamide?
The InChIKey is RIGKWOCBILTWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-5-9(13)10-8-6-12(3)11-7(8)2/h6H,4-5H2,1-3H3,(H,10,13).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)butanamide?
N-(1,3-dimethylpyrazol-4-yl)butanamide has a molecular weight of 181.24 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)butanamide is sourced from PubChem (CID 19346273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).