2-(4-chloro-5-methylpyrazol-1-yl)-N-cyclohexylpropanamide

C13H20ClN3O — CID 19533698

IUPAC2-(4-chloro-5-methylpyrazol-1-yl)-N-cyclohexylpropanamide
SMILESCc1c(Cl)cnn1C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H20ClN3O/c1-9-12(14)8-15-17(9)10(2)13(18)16-11-6-4-3-5-7-11/h8,10-11H,3-7H2,1-2H3,(H,16,18)
InChIKeyWUQPNSOXBQLHIG-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.85
Rot. Bonds3

About 2-(4-chloro-5-methylpyrazol-1-yl)-N-cyclohexylpropanamide

2-(4-chloro-5-methylpyrazol-1-yl)-N-cyclohexylpropanamide (PubChem CID 19533698) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-(4-chloro-5-methylpyrazol-1-yl)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-5-methylpyrazol-1-yl)-N-cyclohexylpropanamide
PubChem CID19533698
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-(4-chloro-5-methylpyrazol-1-yl)-N-cyclohexylpropanamide
SMILESCc1c(Cl)cnn1C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H20ClN3O/c1-9-12(14)8-15-17(9)10(2)13(18)16-11-6-4-3-5-7-11/h8,10-11H,3-7H2,1-2H3,(H,16,18)
InChIKeyWUQPNSOXBQLHIG-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-5-methylpyrazol-1-yl)propanamide
CID 25248320
(2S)-2-(4-chloro-5-methylpyrazol-1-yl)propanoic acid
CID 7026044
2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 19533585
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)propanamide
CID 19533587
2-(4-chloro-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 4769387
2-(6-aminoindazol-1-yl)-N-cyclohexylpropanamide
CID 43646607
2-(4-chloro-5-methylpyrazol-1-yl)-N-octadecylpropanamide
CID 19533617
2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 19533679
2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide
CID 154834581
(2S)-N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
CID 7610446
1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylic acid
CID 62055066
N-cycloheptyl-2-(3-methylindazol-1-yl)propanamide
CID 22509795

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-cyclohexylpropanamide?
The IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-cyclohexylpropanamide (CID 19533698) is 2-(4-chloro-5-methylpyrazol-1-yl)-N-cyclohexylpropanamide.
What is the SMILES notation for 2-(4-chloro-5-methylpyrazol-1-yl)-N-cyclohexylpropanamide?
The canonical SMILES for 2-(4-chloro-5-methylpyrazol-1-yl)-N-cyclohexylpropanamide is Cc1c(Cl)cnn1C(C)C(=O)NC1CCCCC1.
What is the InChIKey of 2-(4-chloro-5-methylpyrazol-1-yl)-N-cyclohexylpropanamide?
The InChIKey is WUQPNSOXBQLHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-9-12(14)8-15-17(9)10(2)13(18)16-11-6-4-3-5-7-11/h8,10-11H,3-7H2,1-2H3,(H,16,18).
What are the key properties of 2-(4-chloro-5-methylpyrazol-1-yl)-N-cyclohexylpropanamide?
2-(4-chloro-5-methylpyrazol-1-yl)-N-cyclohexylpropanamide has a molecular weight of 269.78 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methylpyrazol-1-yl)-N-cyclohexylpropanamide is sourced from PubChem (CID 19533698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).