N-(2-amino-3-ethylpentyl)-1,3-dimethylpyrazole-4-carboxamide

C13H24N4O — CID 114168450

IUPACN-(2-amino-3-ethylpentyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCCC(CC)C(N)CNC(=O)c1cn(C)nc1C
InChIInChI=1S/C13H24N4O/c1-5-10(6-2)12(14)7-15-13(18)11-8-17(4)16-9(11)3/h8,10,12H,5-7,14H2,1-4H3,(H,15,18)
InChIKeyZKMRILLMHVNUTN-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.22
Rot. Bonds6

About N-(2-amino-3-ethylpentyl)-1,3-dimethylpyrazole-4-carboxamide

N-(2-amino-3-ethylpentyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 114168450) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2-amino-3-ethylpentyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-ethylpentyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID114168450
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(2-amino-3-ethylpentyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCCC(CC)C(N)CNC(=O)c1cn(C)nc1C
InChIInChI=1S/C13H24N4O/c1-5-10(6-2)12(14)7-15-13(18)11-8-17(4)16-9(11)3/h8,10,12H,5-7,14H2,1-4H3,(H,15,18)
InChIKeyZKMRILLMHVNUTN-UHFFFAOYSA-N
XLogP1.22
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-3-ethylpentyl)-1,3-dimethylpyrazole-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-(2-amino-2-cyclopropylethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103872684
3-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]pentanoic acid
CID 102801321
(2S)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833607
2-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 102801287
N-(3-amino-3-hydroxyimino-2-methylpropyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102802153
N-(3-hydroxy-2,2-dimethylpropyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103820667
N-tert-butyl-1,3-dimethylpyrazole-4-carboxamide
CID 42352825
N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474960
N-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801078
N-(2-amino-3-ethylpentyl)-3-hydroxypyridine-4-carboxamide
CID 106286387
N-(2-tert-butylsulfanylethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 74237119
N-(4-chlorobutyl)-1,3-dimethylpyrazole-4-carboxamide
CID 106845570

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-ethylpentyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-3-ethylpentyl)-1,3-dimethylpyrazole-4-carboxamide (CID 114168450) is N-(2-amino-3-ethylpentyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-3-ethylpentyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-3-ethylpentyl)-1,3-dimethylpyrazole-4-carboxamide is CCC(CC)C(N)CNC(=O)c1cn(C)nc1C.
What is the InChIKey of N-(2-amino-3-ethylpentyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is ZKMRILLMHVNUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-10(6-2)12(14)7-15-13(18)11-8-17(4)16-9(11)3/h8,10,12H,5-7,14H2,1-4H3,(H,15,18).
What are the key properties of N-(2-amino-3-ethylpentyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(2-amino-3-ethylpentyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-ethylpentyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 114168450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).