N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3-methylbutanamide

C17H21N3O — CID 42687627

IUPACN-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1c(-c2ccccc2)n[nH]c1C1CC1
InChIInChI=1S/C17H21N3O/c1-11(2)10-14(21)18-17-15(12-6-4-3-5-7-12)19-20-16(17)13-8-9-13/h3-7,11,13H,8-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyJHUGXGFAIYSHGZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.94
Rot. Bonds5

About N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3-methylbutanamide

N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3-methylbutanamide (PubChem CID 42687627) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3-methylbutanamide
PubChem CID42687627
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1c(-c2ccccc2)n[nH]c1C1CC1
InChIInChI=1S/C17H21N3O/c1-11(2)10-14(21)18-17-15(12-6-4-3-5-7-12)19-20-16(17)13-8-9-13/h3-7,11,13H,8-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyJHUGXGFAIYSHGZ-UHFFFAOYSA-N
XLogP3.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3-methylbutanamide?
The IUPAC name of N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3-methylbutanamide (CID 42687627) is N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3-methylbutanamide.
What is the SMILES notation for N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3-methylbutanamide?
The canonical SMILES for N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3-methylbutanamide is CC(C)CC(=O)Nc1c(-c2ccccc2)n[nH]c1C1CC1.
What is the InChIKey of N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3-methylbutanamide?
The InChIKey is JHUGXGFAIYSHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11(2)10-14(21)18-17-15(12-6-4-3-5-7-12)19-20-16(17)13-8-9-13/h3-7,11,13H,8-10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3-methylbutanamide?
N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3-methylbutanamide has a molecular weight of 283.38 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3-methylbutanamide is sourced from PubChem (CID 42687627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).