N-(2-chlorocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide

C13H20ClN3O — CID 114301286

IUPACN-(2-chlorocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC2CCCCC2Cl)n(C)n1
InChIInChI=1S/C13H20ClN3O/c1-3-9-8-12(17(2)16-9)13(18)15-11-7-5-4-6-10(11)14/h8,10-11H,3-7H2,1-2H3,(H,15,18)
InChIKeyIVQMNZDKWCUYHW-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.26
Rot. Bonds3

About N-(2-chlorocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide

N-(2-chlorocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 114301286) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID114301286
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC NameN-(2-chlorocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC2CCCCC2Cl)n(C)n1
InChIInChI=1S/C13H20ClN3O/c1-3-9-8-12(17(2)16-9)13(18)15-11-7-5-4-6-10(11)14/h8,10-11H,3-7H2,1-2H3,(H,15,18)
InChIKeyIVQMNZDKWCUYHW-UHFFFAOYSA-N
XLogP2.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121735
N-(2-aminocyclopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120357
4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 66120116
cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 105076841
1,3-diethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide
CID 106364536
N-(2-bromo-2-cyclopropylethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114315903
2-[(1,3-diethylpyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66120397
N-[(2-bromocyclohexyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 113275160
3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 66122699
N-[cyano(cyclohexyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119938
N-(2-chlorocycloheptyl)-1,5-dimethylpyrazole-4-carboxamide
CID 113395054
3-ethyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazole-5-carboxamide
CID 66120526

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(2-chlorocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 114301286) is N-(2-chlorocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)NC2CCCCC2Cl)n(C)n1.
What is the InChIKey of N-(2-chlorocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is IVQMNZDKWCUYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-3-9-8-12(17(2)16-9)13(18)15-11-7-5-4-6-10(11)14/h8,10-11H,3-7H2,1-2H3,(H,15,18).
What are the key properties of N-(2-chlorocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
N-(2-chlorocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 269.78 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 114301286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).