4-amino-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazole-3-carboxamide

C12H22N4O — CID 104827278

IUPAC4-amino-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NC(C)C(C)(C)C)n1
InChIInChI=1S/C12H22N4O/c1-6-16-7-9(13)10(15-16)11(17)14-8(2)12(3,4)5/h7-8H,6,13H2,1-5H3,(H,14,17)
InChIKeyMLDLXOYPARWKEZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.65
Rot. Bonds3

About 4-amino-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazole-3-carboxamide

4-amino-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazole-3-carboxamide (PubChem CID 104827278) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-amino-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazole-3-carboxamide
PubChem CID104827278
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-amino-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NC(C)C(C)(C)C)n1
InChIInChI=1S/C12H22N4O/c1-6-16-7-9(13)10(15-16)11(17)14-8(2)12(3,4)5/h7-8H,6,13H2,1-5H3,(H,14,17)
InChIKeyMLDLXOYPARWKEZ-UHFFFAOYSA-N
XLogP1.65
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide
CID 79248411
4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65359220
methyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-methylbutanoate
CID 65358129
4-amino-1-ethyl-N-(2,2,3-trimethylbutyl)pyrazole-3-carboxamide
CID 114098963
4-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
CID 65363321
4-amino-N-(1-cyclohexylethyl)-1-ethylpyrazole-3-carboxamide
CID 65358266
4-amino-1-ethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide
CID 65358416
4-amino-1-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazole-3-carboxamide
CID 65357917
4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 65359089
4-amino-1-ethyl-N-[1-(4-methoxyphenyl)ethyl]pyrazole-3-carboxamide
CID 66197175
4-amino-1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-3-carboxamide
CID 114152424
4-amino-1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide
CID 65357729

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazole-3-carboxamide (CID 104827278) is 4-amino-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazole-3-carboxamide is CCn1cc(N)c(C(=O)NC(C)C(C)(C)C)n1.
What is the InChIKey of 4-amino-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is MLDLXOYPARWKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-6-16-7-9(13)10(15-16)11(17)14-8(2)12(3,4)5/h7-8H,6,13H2,1-5H3,(H,14,17).
What are the key properties of 4-amino-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazole-3-carboxamide?
4-amino-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 104827278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).