N-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide

C10H17N3O2 — CID 103726489

IUPACN-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1ccn(C)n1
InChIInChI=1S/C10H17N3O2/c1-10(2,15)7-12(3)9(14)8-5-6-13(4)11-8/h5-6,15H,7H2,1-4H3
InChIKeyIXNAEXOSJOZTGL-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.26
Rot. Bonds3

About N-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide

N-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 103726489) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide
PubChem CID103726489
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1ccn(C)n1
InChIInChI=1S/C10H17N3O2/c1-10(2,15)7-12(3)9(14)8-5-6-13(4)11-8/h5-6,15H,7H2,1-4H3
InChIKeyIXNAEXOSJOZTGL-UHFFFAOYSA-N
XLogP0.26
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide
CID 79379901
N-(3-bromobutyl)-N,1-dimethylpyrazole-3-carboxamide
CID 103122900
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N,1-dimethylpyrazole-3-carboxamide
CID 103121328
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
N,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide
CID 103915328
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 111543015
N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 19278025
N-(2-hydroxy-2-methylpropyl)-N,6-dimethylpyridine-2-carboxamide
CID 79290588
N-(2-bromoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 107492514
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide
CID 79291124
N-(4-hydroxy-2-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide
CID 103944808
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 19575675

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide (CID 103726489) is N-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide is CN(CC(C)(C)O)C(=O)c1ccn(C)n1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is IXNAEXOSJOZTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,15)7-12(3)9(14)8-5-6-13(4)11-8/h5-6,15H,7H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide?
N-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 103726489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).