3-methyl-N-(1-phenylpyrazol-3-yl)butanamide

C14H17N3O — CID 110470740

IUPAC3-methyl-N-(1-phenylpyrazol-3-yl)butanamide
SMILESCC(C)CC(=O)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H17N3O/c1-11(2)10-14(18)15-13-8-9-17(16-13)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,15,16,18)
InChIKeyFRUIZENZYDIDJJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.86
Rot. Bonds4

About 3-methyl-N-(1-phenylpyrazol-3-yl)butanamide

3-methyl-N-(1-phenylpyrazol-3-yl)butanamide (PubChem CID 110470740) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-methyl-N-(1-phenylpyrazol-3-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(1-phenylpyrazol-3-yl)butanamide
PubChem CID110470740
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-methyl-N-(1-phenylpyrazol-3-yl)butanamide
SMILESCC(C)CC(=O)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H17N3O/c1-11(2)10-14(18)15-13-8-9-17(16-13)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,15,16,18)
InChIKeyFRUIZENZYDIDJJ-UHFFFAOYSA-N
XLogP2.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-phenylpyrazol-3-yl)butanamide?
The IUPAC name of 3-methyl-N-(1-phenylpyrazol-3-yl)butanamide (CID 110470740) is 3-methyl-N-(1-phenylpyrazol-3-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(1-phenylpyrazol-3-yl)butanamide?
The canonical SMILES for 3-methyl-N-(1-phenylpyrazol-3-yl)butanamide is CC(C)CC(=O)Nc1ccn(-c2ccccc2)n1.
What is the InChIKey of 3-methyl-N-(1-phenylpyrazol-3-yl)butanamide?
The InChIKey is FRUIZENZYDIDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11(2)10-14(18)15-13-8-9-17(16-13)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,15,16,18).
What are the key properties of 3-methyl-N-(1-phenylpyrazol-3-yl)butanamide?
3-methyl-N-(1-phenylpyrazol-3-yl)butanamide has a molecular weight of 243.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-phenylpyrazol-3-yl)butanamide is sourced from PubChem (CID 110470740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).