N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide

C12H19N3O — CID 746858

IUPACN-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide
SMILESCc1cc(C)n(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C12H19N3O/c1-9-8-10(2)15(14-9)12(16)13-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,13,16)
InChIKeyXOVCGYSQLCZGSB-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.39
Rot. Bonds1

About N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide

N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide (PubChem CID 746858) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide
PubChem CID746858
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide
SMILESCc1cc(C)n(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C12H19N3O/c1-9-8-10(2)15(14-9)12(16)13-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,13,16)
InChIKeyXOVCGYSQLCZGSB-UHFFFAOYSA-N
XLogP2.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide?
The IUPAC name of N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide (CID 746858) is N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide is Cc1cc(C)n(C(=O)NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide?
The InChIKey is XOVCGYSQLCZGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-8-10(2)15(14-9)12(16)13-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,13,16).
What are the key properties of N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide?
N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide is sourced from PubChem (CID 746858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).