N-(2-hydroxycyclohexyl)-N,1-dimethylpyrazole-4-carboxamide

C12H19N3O2 — CID 102634963

IUPACN-(2-hydroxycyclohexyl)-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C1CCCCC1O
InChIInChI=1S/C12H19N3O2/c1-14-8-9(7-13-14)12(17)15(2)10-5-3-4-6-11(10)16/h7-8,10-11,16H,3-6H2,1-2H3
InChIKeyGNRYYTGYARITMQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.80
Rot. Bonds2

About N-(2-hydroxycyclohexyl)-N,1-dimethylpyrazole-4-carboxamide

N-(2-hydroxycyclohexyl)-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 102634963) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N,1-dimethylpyrazole-4-carboxamide
PubChem CID102634963
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(2-hydroxycyclohexyl)-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C1CCCCC1O
InChIInChI=1S/C12H19N3O2/c1-14-8-9(7-13-14)12(17)15(2)10-5-3-4-6-11(10)16/h7-8,10-11,16H,3-6H2,1-2H3
InChIKeyGNRYYTGYARITMQ-UHFFFAOYSA-N
XLogP0.80
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N,1-dimethylpyrazole-4-carboxamide (CID 102634963) is N-(2-hydroxycyclohexyl)-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N,1-dimethylpyrazole-4-carboxamide is CN(C(=O)c1cnn(C)c1)C1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is GNRYYTGYARITMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-14-8-9(7-13-14)12(17)15(2)10-5-3-4-6-11(10)16/h7-8,10-11,16H,3-6H2,1-2H3.
What are the key properties of N-(2-hydroxycyclohexyl)-N,1-dimethylpyrazole-4-carboxamide?
N-(2-hydroxycyclohexyl)-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 102634963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).