N-ethyl-N-(3-methylphenyl)-1H-pyrazole-5-carboxamide

C13H15N3O — CID 110865006

IUPACN-ethyl-N-(3-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCN(C(=O)c1ccn[nH]1)c1cccc(C)c1
InChIInChI=1S/C13H15N3O/c1-3-16(11-6-4-5-10(2)9-11)13(17)12-7-8-14-15-12/h4-9H,3H2,1-2H3,(H,14,15)
InChIKeyVZJMXCWDGGPGNY-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.38
Rot. Bonds3

About N-ethyl-N-(3-methylphenyl)-1H-pyrazole-5-carboxamide

N-ethyl-N-(3-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 110865006) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID110865006
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-ethyl-N-(3-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCN(C(=O)c1ccn[nH]1)c1cccc(C)c1
InChIInChI=1S/C13H15N3O/c1-3-16(11-6-4-5-10(2)9-11)13(17)12-7-8-14-15-12/h4-9H,3H2,1-2H3,(H,14,15)
InChIKeyVZJMXCWDGGPGNY-UHFFFAOYSA-N
XLogP2.38
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-(3-methylphenyl)-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-ethyl-3-hydroxy-N-(3-methylphenyl)pyridine-2-carboxamide
CID 61104536
N-ethyl-N-methyl-1H-pyrazole-5-carboxamide
CID 70181889
N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide
CID 107023760
1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109048470
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
6-amino-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 62239482
N,4-diethyl-N-(3-methylphenyl)benzamide
CID 533234
N-ethyl-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 110865026
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
N-ethyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-2-carboxamide
CID 110696261
6-amino-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 55041795
N-ethyl-N-(3-methylphenyl)-1,3-oxazole-5-carboxamide
CID 110865014

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-1H-pyrazole-5-carboxamide (CID 110865006) is N-ethyl-N-(3-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-1H-pyrazole-5-carboxamide is CCN(C(=O)c1ccn[nH]1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is VZJMXCWDGGPGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-16(11-6-4-5-10(2)9-11)13(17)12-7-8-14-15-12/h4-9H,3H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-N-(3-methylphenyl)-1H-pyrazole-5-carboxamide?
N-ethyl-N-(3-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 110865006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).