N,5-diethyl-1-methyl-3-(2-methylpropyl)pyrazole-4-carboxamide

C13H23N3O — CID 42669903

IUPACN,5-diethyl-1-methyl-3-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCNC(=O)c1c(CC(C)C)nn(C)c1CC
InChIInChI=1S/C13H23N3O/c1-6-11-12(13(17)14-7-2)10(8-9(3)4)15-16(11)5/h9H,6-8H2,1-5H3,(H,14,17)
InChIKeyKJNWABSOKDVUEI-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.93
Rot. Bonds5

About N,5-diethyl-1-methyl-3-(2-methylpropyl)pyrazole-4-carboxamide

N,5-diethyl-1-methyl-3-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 42669903) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N,5-diethyl-1-methyl-3-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,5-diethyl-1-methyl-3-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID42669903
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN,5-diethyl-1-methyl-3-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCNC(=O)c1c(CC(C)C)nn(C)c1CC
InChIInChI=1S/C13H23N3O/c1-6-11-12(13(17)14-7-2)10(8-9(3)4)15-16(11)5/h9H,6-8H2,1-5H3,(H,14,17)
InChIKeyKJNWABSOKDVUEI-UHFFFAOYSA-N
XLogP1.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,5-diethyl-1-methyl-3-(2-methylpropyl)pyrazole-4-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-1-methyl-5-(propan-2-YL)-1H-pyrazole-4-carboxamide
CID 42669806
1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide
CID 42669808
N-ethyl-1,3-dimethyl-5-propan-2-ylpyrazole-4-carboxamide
CID 42669809
1-tert-butyl-N,5-diethyl-1H-pyrazole-4-carboxamide
CID 42669810
3,5-Diethyl-1-methyl-N-(propan-2-YL)-1H-pyrazole-4-carboxamide
CID 42669892
(5-ethyl-3-isobutyl-1-methyl-1H-pyrazol-4-yl)(morpholino)methanone
CID 42669902
N-cyclopropyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 42818255
N,3-dicyclopropyl-5-ethyl-1-methylpyrazole-4-carboxamide
CID 42820307
3-cyclopropyl-5-ethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 46743729
[5-Methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 8077168
Methyl 3-(1,3,5-trimethyl-1h-pyrazole-4-carboxamido)propanoate
CID 40211980
N-isobutyl-1-isopropyl-5-methyl-3-(trifluoromethyl
CID 49670283

Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-1-methyl-3-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of N,5-diethyl-1-methyl-3-(2-methylpropyl)pyrazole-4-carboxamide (CID 42669903) is N,5-diethyl-1-methyl-3-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for N,5-diethyl-1-methyl-3-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for N,5-diethyl-1-methyl-3-(2-methylpropyl)pyrazole-4-carboxamide is CCNC(=O)c1c(CC(C)C)nn(C)c1CC.
What is the InChIKey of N,5-diethyl-1-methyl-3-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is KJNWABSOKDVUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-11-12(13(17)14-7-2)10(8-9(3)4)15-16(11)5/h9H,6-8H2,1-5H3,(H,14,17).
What are the key properties of N,5-diethyl-1-methyl-3-(2-methylpropyl)pyrazole-4-carboxamide?
N,5-diethyl-1-methyl-3-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-1-methyl-3-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42669903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).