3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-cyclohexylpropanamide

C14H22ClN3O — CID 19543732

IUPAC3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-cyclohexylpropanamide
SMILESCc1nn(CCC(=O)NC2CCCCC2)c(C)c1Cl
InChIInChI=1S/C14H22ClN3O/c1-10-14(15)11(2)18(17-10)9-8-13(19)16-12-6-4-3-5-7-12/h12H,3-9H2,1-2H3,(H,16,19)
InChIKeyQVBIGAYAWIUKGL-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.99
Rot. Bonds4

About 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-cyclohexylpropanamide

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-cyclohexylpropanamide (PubChem CID 19543732) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-cyclohexylpropanamide
PubChem CID19543732
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-cyclohexylpropanamide
SMILESCc1nn(CCC(=O)NC2CCCCC2)c(C)c1Cl
InChIInChI=1S/C14H22ClN3O/c1-10-14(15)11(2)18(17-10)9-8-13(19)16-12-6-4-3-5-7-12/h12H,3-9H2,1-2H3,(H,16,19)
InChIKeyQVBIGAYAWIUKGL-UHFFFAOYSA-N
XLogP2.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanamine
CID 62565084
3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide
CID 19544037
N-[(1R,2S)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 133123132
N-cycloheptyl-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide
CID 50794548
N-[(3R)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 96571195
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 95850125
N-cyclododecyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
CID 91960258
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 46971806
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19543724
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cycloheptylacetamide
CID 19523302
2-[3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide
CID 19587729
methyl 2-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]acetate
CID 19543793

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-cyclohexylpropanamide?
The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-cyclohexylpropanamide (CID 19543732) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-cyclohexylpropanamide.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-cyclohexylpropanamide?
The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-cyclohexylpropanamide is Cc1nn(CCC(=O)NC2CCCCC2)c(C)c1Cl.
What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-cyclohexylpropanamide?
The InChIKey is QVBIGAYAWIUKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-10-14(15)11(2)18(17-10)9-8-13(19)16-12-6-4-3-5-7-12/h12H,3-9H2,1-2H3,(H,16,19).
What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-cyclohexylpropanamide?
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-cyclohexylpropanamide has a molecular weight of 283.80 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-cyclohexylpropanamide is sourced from PubChem (CID 19543732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).