3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide

C10H17N3O — CID 70247409

IUPAC3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCNC(=O)c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C10H17N3O/c1-10(2,3)8-6-7(9(14)11-4)13(5)12-8/h6H,1-5H3,(H,11,14)
InChIKeyUHVTYLJMQHAUQX-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.08
Rot. Bonds1

About 3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide

3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 70247409) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide
PubChem CID70247409
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCNC(=O)c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C10H17N3O/c1-10(2,3)8-6-7(9(14)11-4)13(5)12-8/h6H,1-5H3,(H,11,14)
InChIKeyUHVTYLJMQHAUQX-UHFFFAOYSA-N
XLogP1.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-tert-butyl-1-methylpyrazol-5-yl)-3-oxopropanoic acid
CID 170887044
N-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 119384846
3-tert-butyl-N-(3-hydroxypropyl)-1-methylpyrazole-5-carboxamide
CID 78897064
3-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 119249467
2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-N-methylpyrazolidine-1-carbothioamide
CID 3872086
3-tert-butyl-1-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazole-5-carbohydrazide
CID 87033202
3-tert-butyl-N-(2,4-dimethylpentyl)-1-methylpyrazole-5-carboxamide
CID 166375628
3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide
CID 119389510
N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 6489269
4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229364
3-tert-butyl-1-methyl-N-(2,3,4-trifluorophenyl)pyrazole-5-carboxamide
CID 87023647
3-tert-butyl-1-methyl-N-naphthalen-2-ylpyrazole-5-carboxamide
CID 78893081

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide (CID 70247409) is 3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide is CNC(=O)c1cc(C(C)(C)C)nn1C.
What is the InChIKey of 3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is UHVTYLJMQHAUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(2,3)8-6-7(9(14)11-4)13(5)12-8/h6H,1-5H3,(H,11,14).
What are the key properties of 3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide?
3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 195.27 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 70247409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).