N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide

C16H21N3O — CID 115612805

IUPACN-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCCC(CC)CNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H21N3O/c1-3-12(4-2)11-17-16(20)15-10-14(18-19-15)13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyCFQBMBMYRBKLGX-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.24
Rot. Bonds6

About N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide

N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 115612805) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID115612805
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCCC(CC)CNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H21N3O/c1-3-12(4-2)11-17-16(20)15-10-14(18-19-15)13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyCFQBMBMYRBKLGX-UHFFFAOYSA-N
XLogP3.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-ethylbutyl)-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

Related Compounds

N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43418024
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 167869393
N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 126775116
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259
N-(2-amino-2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119643000
(2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 119194391
3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 167898904
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889561
N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 110205416

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide (CID 115612805) is N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide is CCC(CC)CNC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is CFQBMBMYRBKLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-12(4-2)11-17-16(20)15-10-14(18-19-15)13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide?
N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 115612805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).