[(2S,4S)-2-cyclohexyl-4-hydroxypyrrolidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone

C19H24N4O2 — CID 97248007

IUPAC[(2S,4S)-2-cyclohexyl-4-hydroxypyrrolidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2cnnc2)cc1)N1C[C@@H](O)C[C@H]1C1CCCCC1
InChIInChI=1S/C19H24N4O2/c24-17-10-18(14-4-2-1-3-5-14)23(11-17)19(25)15-6-8-16(9-7-15)22-12-20-21-13-22/h6-9,12-14,17-18,24H,1-5,10-11H2/t17-,18-/m0/s1
InChIKeyGUJPNPFYEIIQFV-ROUUACIJSA-N
MW340.43 g/mol
LogP2.42
Rot. Bonds3

About [(2S,4S)-2-cyclohexyl-4-hydroxypyrrolidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone

[(2S,4S)-2-cyclohexyl-4-hydroxypyrrolidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone (PubChem CID 97248007) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [(2S,4S)-2-cyclohexyl-4-hydroxypyrrolidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2S,4S)-2-cyclohexyl-4-hydroxypyrrolidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
PubChem CID97248007
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[(2S,4S)-2-cyclohexyl-4-hydroxypyrrolidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2cnnc2)cc1)N1C[C@@H](O)C[C@H]1C1CCCCC1
InChIInChI=1S/C19H24N4O2/c24-17-10-18(14-4-2-1-3-5-14)23(11-17)19(25)15-6-8-16(9-7-15)22-12-20-21-13-22/h6-9,12-14,17-18,24H,1-5,10-11H2/t17-,18-/m0/s1
InChIKeyGUJPNPFYEIIQFV-ROUUACIJSA-N
XLogP2.42
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S,4S)-2-cyclohexyl-4-hydroxypyrrolidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone with MolForge

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Related Compounds

(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-[4-(pyridin-4-ylamino)phenyl]methanone
CID 166189282
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124689263
(3R)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125134650
[(2R)-2-cyclohexylaziridin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 102336297
[(2S)-2-(2-phenylethyl)piperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 96576779
[(2S)-2-cyclohexylaziridin-1-yl]-(4-nitrophenyl)methanone
CID 102168315
[(2R)-2-cyclohexylaziridin-1-yl]-(4-nitrophenyl)methanone
CID 102168314
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4-aminophenyl)methanone
CID 90935623
morpholin-4-yl-[(3S)-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]methanone
CID 124568573
1-[(2S,4S)-2-cyclohexyl-4-hydroxypyrrolidin-1-yl]-3-(5-methylfuran-2-yl)propan-1-one
CID 97248003
[(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-[4-(triazol-1-ylmethyl)phenyl]methanone
CID 136586859
4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)benzoic acid
CID 81360754

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-cyclohexyl-4-hydroxypyrrolidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone?
The IUPAC name of [(2S,4S)-2-cyclohexyl-4-hydroxypyrrolidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone (CID 97248007) is [(2S,4S)-2-cyclohexyl-4-hydroxypyrrolidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone.
What is the SMILES notation for [(2S,4S)-2-cyclohexyl-4-hydroxypyrrolidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone?
The canonical SMILES for [(2S,4S)-2-cyclohexyl-4-hydroxypyrrolidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone is O=C(c1ccc(-n2cnnc2)cc1)N1C[C@@H](O)C[C@H]1C1CCCCC1.
What is the InChIKey of [(2S,4S)-2-cyclohexyl-4-hydroxypyrrolidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone?
The InChIKey is GUJPNPFYEIIQFV-ROUUACIJSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-17-10-18(14-4-2-1-3-5-14)23(11-17)19(25)15-6-8-16(9-7-15)22-12-20-21-13-22/h6-9,12-14,17-18,24H,1-5,10-11H2/t17-,18-/m0/s1.
What are the key properties of [(2S,4S)-2-cyclohexyl-4-hydroxypyrrolidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone?
[(2S,4S)-2-cyclohexyl-4-hydroxypyrrolidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone has a molecular weight of 340.43 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-cyclohexyl-4-hydroxypyrrolidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone is sourced from PubChem (CID 97248007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).