3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide

C13H20ClN3O — CID 19544037

IUPAC3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide
SMILESCc1nn(CCC(=O)NC2CCCCC2)cc1Cl
InChIInChI=1S/C13H20ClN3O/c1-10-12(14)9-17(16-10)8-7-13(18)15-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,15,18)
InChIKeyJCGBICRYPNVFOR-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.68
Rot. Bonds4

About 3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide

3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide (PubChem CID 19544037) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide
PubChem CID19544037
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide
SMILESCc1nn(CCC(=O)NC2CCCCC2)cc1Cl
InChIInChI=1S/C13H20ClN3O/c1-10-12(14)9-17(16-10)8-7-13(18)15-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,15,18)
InChIKeyJCGBICRYPNVFOR-UHFFFAOYSA-N
XLogP2.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539729
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-cyclohexylpropanamide
CID 19543732
N-cyclopentyl-3-(3-methylpyrazol-1-yl)propanamide
CID 19555712
N-cyclopentyl-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide
CID 35762567
N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide
CID 31336018
2-(4-chloro-3-methylpyrazol-1-yl)-1-cyclohexylethanone
CID 104751490
3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide
CID 19544009
3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide
CID 19561744
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-chloro-3-methylpyrazol-1-yl)propanamide
CID 19544012
N-cyclohexyl-3-(4-formyltriazol-1-yl)propanamide
CID 66215181
N-cyclopropyl-3-(4-methylpyrazol-1-yl)propanamide
CID 19559575
N-cyclohexyl-3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
CID 9172413

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide?
The IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide (CID 19544037) is 3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide.
What is the SMILES notation for 3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide?
The canonical SMILES for 3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide is Cc1nn(CCC(=O)NC2CCCCC2)cc1Cl.
What is the InChIKey of 3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide?
The InChIKey is JCGBICRYPNVFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-10-12(14)9-17(16-10)8-7-13(18)15-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,15,18).
What are the key properties of 3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide?
3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide has a molecular weight of 269.78 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide is sourced from PubChem (CID 19544037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).