4-amino-1-ethyl-N-(2,2,3-trimethylbutyl)pyrazole-3-carboxamide

C13H24N4O — CID 114098963

IUPAC4-amino-1-ethyl-N-(2,2,3-trimethylbutyl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCC(C)(C)C(C)C)n1
InChIInChI=1S/C13H24N4O/c1-6-17-7-10(14)11(16-17)12(18)15-8-13(4,5)9(2)3/h7,9H,6,8,14H2,1-5H3,(H,15,18)
InChIKeyOMDRRNMTTUVTGR-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.90
Rot. Bonds5

About 4-amino-1-ethyl-N-(2,2,3-trimethylbutyl)pyrazole-3-carboxamide

4-amino-1-ethyl-N-(2,2,3-trimethylbutyl)pyrazole-3-carboxamide (PubChem CID 114098963) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(2,2,3-trimethylbutyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(2,2,3-trimethylbutyl)pyrazole-3-carboxamide
PubChem CID114098963
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-amino-1-ethyl-N-(2,2,3-trimethylbutyl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCC(C)(C)C(C)C)n1
InChIInChI=1S/C13H24N4O/c1-6-17-7-10(14)11(16-17)12(18)15-8-13(4,5)9(2)3/h7,9H,6,8,14H2,1-5H3,(H,15,18)
InChIKeyOMDRRNMTTUVTGR-UHFFFAOYSA-N
XLogP1.90
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
CID 65363321
4-amino-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazole-3-carboxamide
CID 104827278
4-amino-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 106139430
4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 65359089
4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65359220
4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrazole-3-carboxamide
CID 114615025
4-amino-1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide
CID 79248411
4-amino-1-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide
CID 65362915
4-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide
CID 65358786
methyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-methylbutanoate
CID 65358129
4-amino-N-(1-cyclohexylethyl)-1-ethylpyrazole-3-carboxamide
CID 65358266
4-amino-1-ethyl-N-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 65358594

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(2,2,3-trimethylbutyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(2,2,3-trimethylbutyl)pyrazole-3-carboxamide (CID 114098963) is 4-amino-1-ethyl-N-(2,2,3-trimethylbutyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(2,2,3-trimethylbutyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(2,2,3-trimethylbutyl)pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)NCC(C)(C)C(C)C)n1.
What is the InChIKey of 4-amino-1-ethyl-N-(2,2,3-trimethylbutyl)pyrazole-3-carboxamide?
The InChIKey is OMDRRNMTTUVTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-17-7-10(14)11(16-17)12(18)15-8-13(4,5)9(2)3/h7,9H,6,8,14H2,1-5H3,(H,15,18).
What are the key properties of 4-amino-1-ethyl-N-(2,2,3-trimethylbutyl)pyrazole-3-carboxamide?
4-amino-1-ethyl-N-(2,2,3-trimethylbutyl)pyrazole-3-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(2,2,3-trimethylbutyl)pyrazole-3-carboxamide is sourced from PubChem (CID 114098963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).