(2S)-2-amino-3-(4-fluorocyclohexyl)-N-(1-methylpyrazol-4-yl)propanamide

C13H21FN4O — CID 177043302

IUPAC(2S)-2-amino-3-(4-fluorocyclohexyl)-N-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(NC(=O)[C@@H](N)CC2CCC(F)CC2)cn1
InChIInChI=1S/C13H21FN4O/c1-18-8-11(7-16-18)17-13(19)12(15)6-9-2-4-10(14)5-3-9/h7-10,12H,2-6,15H2,1H3,(H,17,19)/t9?,10?,12-/m0/s1
InChIKeyZUDISWXYRBAHAX-CBINBANVSA-N
MW268.34 g/mol
LogP1.60
Rot. Bonds4

About (2S)-2-amino-3-(4-fluorocyclohexyl)-N-(1-methylpyrazol-4-yl)propanamide

(2S)-2-amino-3-(4-fluorocyclohexyl)-N-(1-methylpyrazol-4-yl)propanamide (PubChem CID 177043302) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-fluorocyclohexyl)-N-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-fluorocyclohexyl)-N-(1-methylpyrazol-4-yl)propanamide
PubChem CID177043302
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC Name(2S)-2-amino-3-(4-fluorocyclohexyl)-N-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(NC(=O)[C@@H](N)CC2CCC(F)CC2)cn1
InChIInChI=1S/C13H21FN4O/c1-18-8-11(7-16-18)17-13(19)12(15)6-9-2-4-10(14)5-3-9/h7-10,12H,2-6,15H2,1H3,(H,17,19)/t9?,10?,12-/m0/s1
InChIKeyZUDISWXYRBAHAX-CBINBANVSA-N
XLogP1.60
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide
CID 51078639
N-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]cyclohexanecarboxamide
CID 37393188
N-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
CID 51098380
N-(1-ethyl-1H-pyrazol-4-yl)piperidine-4-carboxamide dihydrochloride
CID 45792389
1-[2-(4-Methyl-1H-pyrazol-1-YL)acetyl]-tetradecahydro-1H-1,8-benzodiazacycloundecan-9-one
CID 110201269
2-acetamido-2-cyclopentyl-N-(1-methylpyrazol-4-yl)acetamide
CID 45817623
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-ethylpyrazol-4-yl)acetamide
CID 51114234
N-[(2S)-1-pyrazol-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 51727993
2-cyclohexyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]acetamide
CID 53624690
1-[(1-Methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide
CID 71971928
4-methyl-N-[2-[methyl-(1-methylpyrazol-4-yl)amino]-2-oxoethyl]pentanamide
CID 71986184
1-acetamido-N-(1-ethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 75416559

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-fluorocyclohexyl)-N-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of (2S)-2-amino-3-(4-fluorocyclohexyl)-N-(1-methylpyrazol-4-yl)propanamide (CID 177043302) is (2S)-2-amino-3-(4-fluorocyclohexyl)-N-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(4-fluorocyclohexyl)-N-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(4-fluorocyclohexyl)-N-(1-methylpyrazol-4-yl)propanamide is Cn1cc(NC(=O)[C@@H](N)CC2CCC(F)CC2)cn1.
What is the InChIKey of (2S)-2-amino-3-(4-fluorocyclohexyl)-N-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is ZUDISWXYRBAHAX-CBINBANVSA-N. The full InChI is InChI=1S/C13H21FN4O/c1-18-8-11(7-16-18)17-13(19)12(15)6-9-2-4-10(14)5-3-9/h7-10,12H,2-6,15H2,1H3,(H,17,19)/t9?,10?,12-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-fluorocyclohexyl)-N-(1-methylpyrazol-4-yl)propanamide?
(2S)-2-amino-3-(4-fluorocyclohexyl)-N-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 268.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-fluorocyclohexyl)-N-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 177043302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).