N-[4-(3-methylpyrazole-1-carbonyl)phenyl]butanamide

C15H17N3O2 — CID 833520

IUPACN-[4-(3-methylpyrazole-1-carbonyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)n2ccc(C)n2)cc1
InChIInChI=1S/C15H17N3O2/c1-3-4-14(19)16-13-7-5-12(6-8-13)15(20)18-10-9-11(2)17-18/h5-10H,3-4H2,1-2H3,(H,16,19)
InChIKeyCHWUMLLXJVWGTJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.62
Rot. Bonds4

About N-[4-(3-methylpyrazole-1-carbonyl)phenyl]butanamide

N-[4-(3-methylpyrazole-1-carbonyl)phenyl]butanamide (PubChem CID 833520) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[4-(3-methylpyrazole-1-carbonyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-(3-methylpyrazole-1-carbonyl)phenyl]butanamide
PubChem CID833520
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[4-(3-methylpyrazole-1-carbonyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)n2ccc(C)n2)cc1
InChIInChI=1S/C15H17N3O2/c1-3-4-14(19)16-13-7-5-12(6-8-13)15(20)18-10-9-11(2)17-18/h5-10H,3-4H2,1-2H3,(H,16,19)
InChIKeyCHWUMLLXJVWGTJ-UHFFFAOYSA-N
XLogP2.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpyrazole-1-carbonyl)phenyl]butanamide?
The IUPAC name of N-[4-(3-methylpyrazole-1-carbonyl)phenyl]butanamide (CID 833520) is N-[4-(3-methylpyrazole-1-carbonyl)phenyl]butanamide.
What is the SMILES notation for N-[4-(3-methylpyrazole-1-carbonyl)phenyl]butanamide?
The canonical SMILES for N-[4-(3-methylpyrazole-1-carbonyl)phenyl]butanamide is CCCC(=O)Nc1ccc(C(=O)n2ccc(C)n2)cc1.
What is the InChIKey of N-[4-(3-methylpyrazole-1-carbonyl)phenyl]butanamide?
The InChIKey is CHWUMLLXJVWGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-4-14(19)16-13-7-5-12(6-8-13)15(20)18-10-9-11(2)17-18/h5-10H,3-4H2,1-2H3,(H,16,19).
What are the key properties of N-[4-(3-methylpyrazole-1-carbonyl)phenyl]butanamide?
N-[4-(3-methylpyrazole-1-carbonyl)phenyl]butanamide has a molecular weight of 271.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpyrazole-1-carbonyl)phenyl]butanamide is sourced from PubChem (CID 833520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).