N-methyl-2-(5-methyl-1H-pyrazol-3-yl)butanamide

C9H15N3O — CID 90736387

IUPACN-methyl-2-(5-methyl-1H-pyrazol-3-yl)butanamide
SMILESCCC(C(=O)NC)c1cc(C)[nH]n1
InChIInChI=1S/C9H15N3O/c1-4-7(9(13)10-3)8-5-6(2)11-12-8/h5,7H,4H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyZDBTXWLBXZYIFH-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.96
Rot. Bonds3

About N-methyl-2-(5-methyl-1H-pyrazol-3-yl)butanamide

N-methyl-2-(5-methyl-1H-pyrazol-3-yl)butanamide (PubChem CID 90736387) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-1H-pyrazol-3-yl)butanamide.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-1H-pyrazol-3-yl)butanamide
PubChem CID90736387
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-methyl-2-(5-methyl-1H-pyrazol-3-yl)butanamide
SMILESCCC(C(=O)NC)c1cc(C)[nH]n1
InChIInChI=1S/C9H15N3O/c1-4-7(9(13)10-3)8-5-6(2)11-12-8/h5,7H,4H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyZDBTXWLBXZYIFH-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methyl-1H-pyrazol-3-yl)butanamide?
The IUPAC name of N-methyl-2-(5-methyl-1H-pyrazol-3-yl)butanamide (CID 90736387) is N-methyl-2-(5-methyl-1H-pyrazol-3-yl)butanamide.
What is the SMILES notation for N-methyl-2-(5-methyl-1H-pyrazol-3-yl)butanamide?
The canonical SMILES for N-methyl-2-(5-methyl-1H-pyrazol-3-yl)butanamide is CCC(C(=O)NC)c1cc(C)[nH]n1.
What is the InChIKey of N-methyl-2-(5-methyl-1H-pyrazol-3-yl)butanamide?
The InChIKey is ZDBTXWLBXZYIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-7(9(13)10-3)8-5-6(2)11-12-8/h5,7H,4H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of N-methyl-2-(5-methyl-1H-pyrazol-3-yl)butanamide?
N-methyl-2-(5-methyl-1H-pyrazol-3-yl)butanamide has a molecular weight of 181.24 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-1H-pyrazol-3-yl)butanamide is sourced from PubChem (CID 90736387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).