(2S)-2-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide

C13H22N4O — CID 119337699

IUPAC(2S)-2-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide
SMILESC[C@H](N)C(=O)Nc1cc(C2CCCCC2)nn1C
InChIInChI=1S/C13H22N4O/c1-9(14)13(18)15-12-8-11(16-17(12)2)10-6-4-3-5-7-10/h8-10H,3-7,14H2,1-2H3,(H,15,18)/t9-/m0/s1
InChIKeyMJGYLFCSGOZEMX-VIFPVBQESA-N
MW250.35 g/mol
LogP1.75
Rot. Bonds3

About (2S)-2-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide

(2S)-2-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide (PubChem CID 119337699) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide
PubChem CID119337699
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(2S)-2-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide
SMILESC[C@H](N)C(=O)Nc1cc(C2CCCCC2)nn1C
InChIInChI=1S/C13H22N4O/c1-9(14)13(18)15-12-8-11(16-17(12)2)10-6-4-3-5-7-10/h8-10H,3-7,14H2,1-2H3,(H,15,18)/t9-/m0/s1
InChIKeyMJGYLFCSGOZEMX-VIFPVBQESA-N
XLogP1.75
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-methylpropanamide
CID 91529109
N-(3-cyclohexyl-1-methylpyrazol-5-yl)piperidine-4-carboxamide
CID 119337707
3-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)cyclopentane-1-carboxamide
CID 119808469
(3-cyclopropyl-1-methylpyrazol-5-yl)carbamic acid
CID 69157729
3-(2-aminophenyl)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide
CID 120611478
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-fluorobenzamide
CID 134798522
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-phenylacetamide
CID 134799695
3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 110010772
methyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate
CID 134798076
(3S)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide
CID 99713793
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-5-hydroxypyridine-3-carboxamide
CID 75484361
(2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride
CID 130685991

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide (CID 119337699) is (2S)-2-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide is C[C@H](N)C(=O)Nc1cc(C2CCCCC2)nn1C.
What is the InChIKey of (2S)-2-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide?
The InChIKey is MJGYLFCSGOZEMX-VIFPVBQESA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(14)13(18)15-12-8-11(16-17(12)2)10-6-4-3-5-7-10/h8-10H,3-7,14H2,1-2H3,(H,15,18)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide?
(2S)-2-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide has a molecular weight of 250.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide is sourced from PubChem (CID 119337699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).