N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenyl-1H-pyrazole-5-carboxamide

C16H19N3O2 — CID 114630661

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H19N3O2/c1-16(2)13(9-14(16)20)17-15(21)12-8-11(18-19-12)10-6-4-3-5-7-10/h3-8,13-14,20H,9H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyRXDFXRLJWUCRPM-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.97
Rot. Bonds3

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenyl-1H-pyrazole-5-carboxamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 114630661) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID114630661
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H19N3O2/c1-16(2)13(9-14(16)20)17-15(21)12-8-11(18-19-12)10-6-4-3-5-7-10/h3-8,13-14,20H,9H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyRXDFXRLJWUCRPM-UHFFFAOYSA-N
XLogP1.97
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenyl-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenyl-1H-pyrazole-5-carboxamide (CID 114630661) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenyl-1H-pyrazole-5-carboxamide is CC1(C)C(O)CC1NC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is RXDFXRLJWUCRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(2)13(9-14(16)20)17-15(21)12-8-11(18-19-12)10-6-4-3-5-7-10/h3-8,13-14,20H,9H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenyl-1H-pyrazole-5-carboxamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 114630661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).