(2S)-N-(2-fluoroethyl)-2-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]carbamoylamino]propanamide

C15H24FN5O2 — CID 124850298

IUPAC(2S)-N-(2-fluoroethyl)-2-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]carbamoylamino]propanamide
SMILESC[C@H](NC(=O)N[C@H]1CCCC[C@H]1n1cccn1)C(=O)NCCF
InChIInChI=1S/C15H24FN5O2/c1-11(14(22)17-9-7-16)19-15(23)20-12-5-2-3-6-13(12)21-10-4-8-18-21/h4,8,10-13H,2-3,5-7,9H2,1H3,(H,17,22)(H2,19,20,23)/t11-,12-,13+/m0/s1
InChIKeyQJBFVSKLPWSYSZ-RWMBFGLXSA-N
MW325.39 g/mol
LogP1.14
Rot. Bonds6

About (2S)-N-(2-fluoroethyl)-2-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]carbamoylamino]propanamide

(2S)-N-(2-fluoroethyl)-2-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]carbamoylamino]propanamide (PubChem CID 124850298) has the molecular formula C15H24FN5O2 and a molecular weight of 325.39 g/mol. Its IUPAC name is (2S)-N-(2-fluoroethyl)-2-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]carbamoylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-fluoroethyl)-2-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]carbamoylamino]propanamide
PubChem CID124850298
Molecular FormulaC15H24FN5O2
Molecular Weight325.39 g/mol
Exact Mass325.19
IUPAC Name(2S)-N-(2-fluoroethyl)-2-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]carbamoylamino]propanamide
SMILESC[C@H](NC(=O)N[C@H]1CCCC[C@H]1n1cccn1)C(=O)NCCF
InChIInChI=1S/C15H24FN5O2/c1-11(14(22)17-9-7-16)19-15(23)20-12-5-2-3-6-13(12)21-10-4-8-18-21/h4,8,10-13H,2-3,5-7,9H2,1H3,(H,17,22)(H2,19,20,23)/t11-,12-,13+/m0/s1
InChIKeyQJBFVSKLPWSYSZ-RWMBFGLXSA-N
XLogP1.14
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(2-fluoroethyl)-2-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]carbamoylamino]propanamide with MolForge

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Related Compounds

1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]urea
CID 96566707
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-pyrazol-1-ylcyclohexyl]urea
CID 96566708
1-[(2R)-2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]urea
CID 129421233
1-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-3-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]urea
CID 100838892
1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyrazol-1-ylcyclohexyl)urea
CID 86789203
1-(3-methyl-1,2-oxazol-5-yl)-3-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]urea
CID 154845601
1-(3-acetylphenyl)-3-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]urea
CID 124504703
(1R,5S)-9-hydroxy-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide
CID 124730444
1-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]-3-(1,2-thiazol-5-yl)urea
CID 154854688
3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide
CID 95968799
(2R)-2-methoxy-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]propane-1-sulfonamide
CID 124830196
5-ethyl-4-nitro-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-1H-pyrazole-3-carboxamide
CID 124624705

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-fluoroethyl)-2-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]carbamoylamino]propanamide?
The IUPAC name of (2S)-N-(2-fluoroethyl)-2-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]carbamoylamino]propanamide (CID 124850298) is (2S)-N-(2-fluoroethyl)-2-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]carbamoylamino]propanamide.
What is the SMILES notation for (2S)-N-(2-fluoroethyl)-2-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]carbamoylamino]propanamide?
The canonical SMILES for (2S)-N-(2-fluoroethyl)-2-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]carbamoylamino]propanamide is C[C@H](NC(=O)N[C@H]1CCCC[C@H]1n1cccn1)C(=O)NCCF.
What is the InChIKey of (2S)-N-(2-fluoroethyl)-2-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]carbamoylamino]propanamide?
The InChIKey is QJBFVSKLPWSYSZ-RWMBFGLXSA-N. The full InChI is InChI=1S/C15H24FN5O2/c1-11(14(22)17-9-7-16)19-15(23)20-12-5-2-3-6-13(12)21-10-4-8-18-21/h4,8,10-13H,2-3,5-7,9H2,1H3,(H,17,22)(H2,19,20,23)/t11-,12-,13+/m0/s1.
What are the key properties of (2S)-N-(2-fluoroethyl)-2-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]carbamoylamino]propanamide?
(2S)-N-(2-fluoroethyl)-2-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]carbamoylamino]propanamide has a molecular weight of 325.39 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-fluoroethyl)-2-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]carbamoylamino]propanamide is sourced from PubChem (CID 124850298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).