N-[2-(4-chlorophenyl)-2-ethylbutyl]-1H-pyrazole-5-carboxamide

C16H20ClN3O — CID 60621598

IUPACN-[2-(4-chlorophenyl)-2-ethylbutyl]-1H-pyrazole-5-carboxamide
SMILESCCC(CC)(CNC(=O)c1ccn[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O/c1-3-16(4-2,12-5-7-13(17)8-6-12)11-18-15(21)14-9-10-19-20-14/h5-10H,3-4,11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyVLPYMTXXVMAAID-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.55
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-ethylbutyl]-1H-pyrazole-5-carboxamide

N-[2-(4-chlorophenyl)-2-ethylbutyl]-1H-pyrazole-5-carboxamide (PubChem CID 60621598) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-ethylbutyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-ethylbutyl]-1H-pyrazole-5-carboxamide
PubChem CID60621598
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-[2-(4-chlorophenyl)-2-ethylbutyl]-1H-pyrazole-5-carboxamide
SMILESCCC(CC)(CNC(=O)c1ccn[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O/c1-3-16(4-2,12-5-7-13(17)8-6-12)11-18-15(21)14-9-10-19-20-14/h5-10H,3-4,11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyVLPYMTXXVMAAID-UHFFFAOYSA-N
XLogP3.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-chlorophenyl)-2-ethylbutyl]-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-(2-hydroxy-2-propylpentyl)-1H-pyrazole-5-carboxamide
CID 111444730
4-acetamido-N-[2-(4-chlorophenyl)-2-ethylbutyl]benzamide
CID 60621325
1-amino-N-[2-(4-chlorophenyl)-2-ethylbutyl]cyclopropane-1-carboxamide
CID 119768490
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-carboxamide
CID 75523447
N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-carboxamide
CID 114383559
N-[2-(4-tert-butylphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide
CID 100636845
N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(methoxymethyl)benzamide
CID 60621749
N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-methylsulfonylbenzamide
CID 60621661
N-(1-amino-3-methylpentan-3-yl)-1H-pyrazole-5-carboxamide
CID 106164166
N-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 68952080
N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(2-hydroxyphenyl)propanamide
CID 60621631
3-methyl-2-[(1H-pyrazole-5-carbonylamino)methyl]butanoic acid
CID 65220054

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-ethylbutyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-ethylbutyl]-1H-pyrazole-5-carboxamide (CID 60621598) is N-[2-(4-chlorophenyl)-2-ethylbutyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-ethylbutyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-ethylbutyl]-1H-pyrazole-5-carboxamide is CCC(CC)(CNC(=O)c1ccn[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-ethylbutyl]-1H-pyrazole-5-carboxamide?
The InChIKey is VLPYMTXXVMAAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-3-16(4-2,12-5-7-13(17)8-6-12)11-18-15(21)14-9-10-19-20-14/h5-10H,3-4,11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(4-chlorophenyl)-2-ethylbutyl]-1H-pyrazole-5-carboxamide?
N-[2-(4-chlorophenyl)-2-ethylbutyl]-1H-pyrazole-5-carboxamide has a molecular weight of 305.81 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-ethylbutyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 60621598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).