N-(2-chlorocyclohexyl)-N-methyl-1H-pyrazole-4-carboxamide

C11H16ClN3O — CID 102638149

IUPACN-(2-chlorocyclohexyl)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1)C1CCCCC1Cl
InChIInChI=1S/C11H16ClN3O/c1-15(10-5-3-2-4-9(10)12)11(16)8-6-13-14-7-8/h6-7,9-10H,2-5H2,1H3,(H,13,14)
InChIKeyZHDDICIUCVQVOX-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.03
Rot. Bonds2

About N-(2-chlorocyclohexyl)-N-methyl-1H-pyrazole-4-carboxamide

N-(2-chlorocyclohexyl)-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 102638149) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID102638149
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC NameN-(2-chlorocyclohexyl)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1)C1CCCCC1Cl
InChIInChI=1S/C11H16ClN3O/c1-15(10-5-3-2-4-9(10)12)11(16)8-6-13-14-7-8/h6-7,9-10H,2-5H2,1H3,(H,13,14)
InChIKeyZHDDICIUCVQVOX-UHFFFAOYSA-N
XLogP2.03
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-3-carboxamide
CID 102638056
4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide
CID 102638083
N-methyl-N-piperidin-3-yl-1H-pyrazole-4-carboxamide
CID 60806877
N-(2-chlorocyclohexyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 102638059
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 54877373
N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-2-carboxamide
CID 102637885
N-(2-chlorocyclohexyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 102637990
5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide
CID 106690219
N-(2-chlorocyclohexyl)-N,4-dimethyl-3-nitrobenzamide
CID 102638136
N-(2-chlorocyclohexyl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 102638182
N-cyclopentyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide
CID 60959160
N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
CID 6734414

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-chlorocyclohexyl)-N-methyl-1H-pyrazole-4-carboxamide (CID 102638149) is N-(2-chlorocyclohexyl)-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-N-methyl-1H-pyrazole-4-carboxamide is CN(C(=O)c1cn[nH]c1)C1CCCCC1Cl.
What is the InChIKey of N-(2-chlorocyclohexyl)-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is ZHDDICIUCVQVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-15(10-5-3-2-4-9(10)12)11(16)8-6-13-14-7-8/h6-7,9-10H,2-5H2,1H3,(H,13,14).
What are the key properties of N-(2-chlorocyclohexyl)-N-methyl-1H-pyrazole-4-carboxamide?
N-(2-chlorocyclohexyl)-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 102638149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).