(2R)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide

C14H22ClN3O — CID 40622304

IUPAC(2R)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide
SMILESCc1nn([C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1Cl
InChIInChI=1S/C14H22ClN3O/c1-9-6-4-5-7-13(9)16-14(19)11(3)18-8-12(15)10(2)17-18/h8-9,11,13H,4-7H2,1-3H3,(H,16,19)/t9-,11+,13+/m0/s1
InChIKeyHNHKKOYKOKGXLH-UFGOTCBOSA-N
MW283.80 g/mol
LogP3.10
Rot. Bonds3

About (2R)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide

(2R)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide (PubChem CID 40622304) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is (2R)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide
PubChem CID40622304
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name(2R)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide
SMILESCc1nn([C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1Cl
InChIInChI=1S/C14H22ClN3O/c1-9-6-4-5-7-13(9)16-14(19)11(3)18-8-12(15)10(2)17-18/h8-9,11,13H,4-7H2,1-3H3,(H,16,19)/t9-,11+,13+/m0/s1
InChIKeyHNHKKOYKOKGXLH-UFGOTCBOSA-N
XLogP3.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylcyclohexyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
CID 42982198
(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 9434415
(2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 9399060
1-N,3-N,5-N-tris(2-methylcyclohexyl)pentane-1,3,5-tricarboxamide
CID 139666026
N-(2-methylcyclohexyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101080
2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 51166113
(2S)-2-(5-chloro-3-phenylindazol-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 129422166
N-[(1S,2R)-2-methylcyclohexyl]-1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide
CID 124819111
(2S)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 124804974
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 7816533
2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2498816
(2R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 8757891

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
The IUPAC name of (2R)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide (CID 40622304) is (2R)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
The canonical SMILES for (2R)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide is Cc1nn([C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1Cl.
What is the InChIKey of (2R)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
The InChIKey is HNHKKOYKOKGXLH-UFGOTCBOSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-9-6-4-5-7-13(9)16-14(19)11(3)18-8-12(15)10(2)17-18/h8-9,11,13H,4-7H2,1-3H3,(H,16,19)/t9-,11+,13+/m0/s1.
What are the key properties of (2R)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
(2R)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide has a molecular weight of 283.80 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide is sourced from PubChem (CID 40622304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).