(2S)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide

C20H26FN3O2 — CID 99808571

IUPAC(2S)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide
SMILESC[C@@H]1CCC[C@@H](O[C@@H](C)C(=O)Nc2ccnn2Cc2ccccc2F)C1
InChIInChI=1S/C20H26FN3O2/c1-14-6-5-8-17(12-14)26-15(2)20(25)23-19-10-11-22-24(19)13-16-7-3-4-9-18(16)21/h3-4,7,9-11,14-15,17H,5-6,8,12-13H2,1-2H3,(H,23,25)/t14-,15+,17-/m1/s1
InChIKeyACJPIPGYJVEPFB-HLLBOEOZSA-N
MW359.44 g/mol
LogP3.99
Rot. Bonds6

About (2S)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide

(2S)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide (PubChem CID 99808571) has the molecular formula C20H26FN3O2 and a molecular weight of 359.44 g/mol. Its IUPAC name is (2S)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide.

Molecular Properties

Compound Name(2S)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide
PubChem CID99808571
Molecular FormulaC20H26FN3O2
Molecular Weight359.44 g/mol
Exact Mass359.20
IUPAC Name(2S)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide
SMILESC[C@@H]1CCC[C@@H](O[C@@H](C)C(=O)Nc2ccnn2Cc2ccccc2F)C1
InChIInChI=1S/C20H26FN3O2/c1-14-6-5-8-17(12-14)26-15(2)20(25)23-19-10-11-22-24(19)13-16-7-3-4-9-18(16)21/h3-4,7,9-11,14-15,17H,5-6,8,12-13H2,1-2H3,(H,23,25)/t14-,15+,17-/m1/s1
InChIKeyACJPIPGYJVEPFB-HLLBOEOZSA-N
XLogP3.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18102461
1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-hydroxy-2-methylpropyl)urea
CID 99714480
1-(2-fluorophenyl)-3-(3-methylcyclohexyl)oxypropan-2-one
CID 43800867
2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 86955815
(2R)-2-(2-fluorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 35672413
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 17406614
N-[3-[ethyl(methyl)amino]phenyl]-2-(3-methylcyclohexyl)oxypropanamide
CID 86960782
(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide
CID 30804831
N-[3-[[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]adamantane-1-carboxamide
CID 86894062
1-[(2-fluorophenyl)methylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60633099
(2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 31976291
2-[[(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid
CID 124689895

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide?
The IUPAC name of (2S)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide (CID 99808571) is (2S)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide.
What is the SMILES notation for (2S)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide?
The canonical SMILES for (2S)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide is C[C@@H]1CCC[C@@H](O[C@@H](C)C(=O)Nc2ccnn2Cc2ccccc2F)C1.
What is the InChIKey of (2S)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide?
The InChIKey is ACJPIPGYJVEPFB-HLLBOEOZSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-14-6-5-8-17(12-14)26-15(2)20(25)23-19-10-11-22-24(19)13-16-7-3-4-9-18(16)21/h3-4,7,9-11,14-15,17H,5-6,8,12-13H2,1-2H3,(H,23,25)/t14-,15+,17-/m1/s1.
What are the key properties of (2S)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide?
(2S)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide has a molecular weight of 359.44 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide is sourced from PubChem (CID 99808571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).