N-[(1-methylpyrazol-3-yl)methyl]butanamide

C9H15N3O — CID 19330976

IUPACN-[(1-methylpyrazol-3-yl)methyl]butanamide
SMILESCCCC(=O)NCc1ccn(C)n1
InChIInChI=1S/C9H15N3O/c1-3-4-9(13)10-7-8-5-6-12(2)11-8/h5-6H,3-4,7H2,1-2H3,(H,10,13)
InChIKeyGLVFOUIRKLUVED-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.84
Rot. Bonds4

About N-[(1-methylpyrazol-3-yl)methyl]butanamide

N-[(1-methylpyrazol-3-yl)methyl]butanamide (PubChem CID 19330976) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]butanamide
PubChem CID19330976
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]butanamide
SMILESCCCC(=O)NCc1ccn(C)n1
InChIInChI=1S/C9H15N3O/c1-3-4-9(13)10-7-8-5-6-12(2)11-8/h5-6H,3-4,7H2,1-2H3,(H,10,13)
InChIKeyGLVFOUIRKLUVED-UHFFFAOYSA-N
XLogP0.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]butanamide?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]butanamide (CID 19330976) is N-[(1-methylpyrazol-3-yl)methyl]butanamide.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]butanamide?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]butanamide is CCCC(=O)NCc1ccn(C)n1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]butanamide?
The InChIKey is GLVFOUIRKLUVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-4-9(13)10-7-8-5-6-12(2)11-8/h5-6H,3-4,7H2,1-2H3,(H,10,13).
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]butanamide?
N-[(1-methylpyrazol-3-yl)methyl]butanamide has a molecular weight of 181.24 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]butanamide is sourced from PubChem (CID 19330976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).