N-(3-cyclopropyl-1-phenylpyrazol-5-yl)butanamide

C16H19N3O — CID 134796419

IUPACN-(3-cyclopropyl-1-phenylpyrazol-5-yl)butanamide
SMILESCCCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C16H19N3O/c1-2-6-16(20)17-15-11-14(12-9-10-12)18-19(15)13-7-4-3-5-8-13/h3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,17,20)
InChIKeyGLSIDDKSUYGGEP-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.49
Rot. Bonds5

About N-(3-cyclopropyl-1-phenylpyrazol-5-yl)butanamide

N-(3-cyclopropyl-1-phenylpyrazol-5-yl)butanamide (PubChem CID 134796419) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-phenylpyrazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-phenylpyrazol-5-yl)butanamide
PubChem CID134796419
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(3-cyclopropyl-1-phenylpyrazol-5-yl)butanamide
SMILESCCCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C16H19N3O/c1-2-6-16(20)17-15-11-14(12-9-10-12)18-19(15)13-7-4-3-5-8-13/h3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,17,20)
InChIKeyGLSIDDKSUYGGEP-UHFFFAOYSA-N
XLogP3.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)butanamide?
The IUPAC name of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)butanamide (CID 134796419) is N-(3-cyclopropyl-1-phenylpyrazol-5-yl)butanamide.
What is the SMILES notation for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)butanamide?
The canonical SMILES for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)butanamide is CCCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)butanamide?
The InChIKey is GLSIDDKSUYGGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-6-16(20)17-15-11-14(12-9-10-12)18-19(15)13-7-4-3-5-8-13/h3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,17,20).
What are the key properties of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)butanamide?
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)butanamide has a molecular weight of 269.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)butanamide is sourced from PubChem (CID 134796419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).