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

C12H22N4O — CID 102673557

IUPAC5-amino-1-methyl-N-(2,2,3-trimethylbutyl)pyrazole-4-carboxamide
SMILESCC(C)C(C)(C)CNC(=O)c1cnn(C)c1N
InChIInChI=1S/C12H22N4O/c1-8(2)12(3,4)7-14-11(17)9-6-15-16(5)10(9)13/h6,8H,7,13H2,1-5H3,(H,14,17)
InChIKeyRQTQWNBTASAPCY-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.41
Rot. Bonds4

About 5-amino-1-methyl-N-(2,2,3-trimethylbutyl)pyrazole-4-carboxamide

5-amino-1-methyl-N-(2,2,3-trimethylbutyl)pyrazole-4-carboxamide (PubChem CID 102673557) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-amino-1-methyl-N-(2,2,3-trimethylbutyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-methyl-N-(2,2,3-trimethylbutyl)pyrazole-4-carboxamide
PubChem CID102673557
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-amino-1-methyl-N-(2,2,3-trimethylbutyl)pyrazole-4-carboxamide
SMILESCC(C)C(C)(C)CNC(=O)c1cnn(C)c1N
InChIInChI=1S/C12H22N4O/c1-8(2)12(3,4)7-14-11(17)9-6-15-16(5)10(9)13/h6,8H,7,13H2,1-5H3,(H,14,17)
InChIKeyRQTQWNBTASAPCY-UHFFFAOYSA-N
XLogP1.41
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[2-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide
CID 115330694
5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide
CID 110485264
5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide
CID 115330437
5-amino-N-butyl-1-methylpyrazole-4-carboxamide
CID 80503275
5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide
CID 115330307
5-amino-N-(2-bromoprop-2-enyl)-1-methylpyrazole-4-carboxamide
CID 104586972
5-amino-1-methyl-N-(3-methylbut-2-enyl)pyrazole-4-carboxamide
CID 103528129
5-amino-N-(3-cyclopentylpropyl)-1-methylpyrazole-4-carboxamide
CID 113355612
5-amino-N-benzyl-1-methylpyrazole-4-carboxamide
CID 13174826
5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
CID 82547322
5-amino-1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
CID 113288594
5-amino-1-methyl-N-[3-(2-methylpropoxy)propyl]pyrazole-4-carboxamide
CID 113355603

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-N-(2,2,3-trimethylbutyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-methyl-N-(2,2,3-trimethylbutyl)pyrazole-4-carboxamide (CID 102673557) is 5-amino-1-methyl-N-(2,2,3-trimethylbutyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-methyl-N-(2,2,3-trimethylbutyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-methyl-N-(2,2,3-trimethylbutyl)pyrazole-4-carboxamide is CC(C)C(C)(C)CNC(=O)c1cnn(C)c1N.
What is the InChIKey of 5-amino-1-methyl-N-(2,2,3-trimethylbutyl)pyrazole-4-carboxamide?
The InChIKey is RQTQWNBTASAPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(2)12(3,4)7-14-11(17)9-6-15-16(5)10(9)13/h6,8H,7,13H2,1-5H3,(H,14,17).
What are the key properties of 5-amino-1-methyl-N-(2,2,3-trimethylbutyl)pyrazole-4-carboxamide?
5-amino-1-methyl-N-(2,2,3-trimethylbutyl)pyrazole-4-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-N-(2,2,3-trimethylbutyl)pyrazole-4-carboxamide is sourced from PubChem (CID 102673557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).