(2R)-1-[[5-methyl-4-[(1S,3R)-3-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]-3-pyrazol-1-ylpropan-2-ol

C16H25N5OS — CID 124614406

IUPAC(2R)-1-[[5-methyl-4-[(1S,3R)-3-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]-3-pyrazol-1-ylpropan-2-ol
SMILESCc1nnc(SC[C@H](O)Cn2cccn2)n1[C@H]1CCC[C@@H](C)C1
InChIInChI=1S/C16H25N5OS/c1-12-5-3-6-14(9-12)21-13(2)18-19-16(21)23-11-15(22)10-20-8-4-7-17-20/h4,7-8,12,14-15,22H,3,5-6,9-11H2,1-2H3/t12-,14+,15-/m1/s1
InChIKeyULZOLBXWDYWKAR-VHDGCEQUSA-N
MW335.48 g/mol
LogP2.69
Rot. Bonds6

About (2R)-1-[[5-methyl-4-[(1S,3R)-3-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]-3-pyrazol-1-ylpropan-2-ol

(2R)-1-[[5-methyl-4-[(1S,3R)-3-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 124614406) has the molecular formula C16H25N5OS and a molecular weight of 335.48 g/mol. Its IUPAC name is (2R)-1-[[5-methyl-4-[(1S,3R)-3-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[5-methyl-4-[(1S,3R)-3-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]-3-pyrazol-1-ylpropan-2-ol
PubChem CID124614406
Molecular FormulaC16H25N5OS
Molecular Weight335.48 g/mol
Exact Mass335.18
IUPAC Name(2R)-1-[[5-methyl-4-[(1S,3R)-3-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]-3-pyrazol-1-ylpropan-2-ol
SMILESCc1nnc(SC[C@H](O)Cn2cccn2)n1[C@H]1CCC[C@@H](C)C1
InChIInChI=1S/C16H25N5OS/c1-12-5-3-6-14(9-12)21-13(2)18-19-16(21)23-11-15(22)10-20-8-4-7-17-20/h4,7-8,12,14-15,22H,3,5-6,9-11H2,1-2H3/t12-,14+,15-/m1/s1
InChIKeyULZOLBXWDYWKAR-VHDGCEQUSA-N
XLogP2.69
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-1-[[5-methyl-4-[(1S,3R)-3-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]-3-pyrazol-1-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-(3-methylcyclohexyl)-5-[(1-methylimidazol-2-yl)methylsulfanyl]-1,2,4-triazole
CID 166186305
2-[[5-methyl-4-[(1S,3S)-3-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 97245549
5-hydroxy-2-[[5-methyl-4-[(1S,3S)-3-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanylmethyl]pyran-4-one
CID 97245537
N,N-dimethyl-4-[[5-methyl-4-(3-methylcyclohexyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide
CID 119039603
1-(3-fluoro-4-methoxyphenyl)-2-[[5-methyl-4-(3-methylcyclohexyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 102560774
1-(2,3-dihydro-1-benzofuran-5-yl)-2-[[5-methyl-4-[(1R,3S)-3-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 99618192
(2R)-3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol
CID 99855153
(2S)-3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol
CID 99855152
(2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-naphthalen-2-yloxypropan-2-ol
CID 52503254
1-(4-chlorophenoxy)-3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
CID 75858586
(2R)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-3-pyrazol-1-ylpropan-2-ol
CID 99773691
1-[(3-methylsulfanylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 114123153

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[5-methyl-4-[(1S,3R)-3-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-[[5-methyl-4-[(1S,3R)-3-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]-3-pyrazol-1-ylpropan-2-ol (CID 124614406) is (2R)-1-[[5-methyl-4-[(1S,3R)-3-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[[5-methyl-4-[(1S,3R)-3-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[[5-methyl-4-[(1S,3R)-3-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]-3-pyrazol-1-ylpropan-2-ol is Cc1nnc(SC[C@H](O)Cn2cccn2)n1[C@H]1CCC[C@@H](C)C1.
What is the InChIKey of (2R)-1-[[5-methyl-4-[(1S,3R)-3-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is ULZOLBXWDYWKAR-VHDGCEQUSA-N. The full InChI is InChI=1S/C16H25N5OS/c1-12-5-3-6-14(9-12)21-13(2)18-19-16(21)23-11-15(22)10-20-8-4-7-17-20/h4,7-8,12,14-15,22H,3,5-6,9-11H2,1-2H3/t12-,14+,15-/m1/s1.
What are the key properties of (2R)-1-[[5-methyl-4-[(1S,3R)-3-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]-3-pyrazol-1-ylpropan-2-ol?
(2R)-1-[[5-methyl-4-[(1S,3R)-3-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 335.48 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[5-methyl-4-[(1S,3R)-3-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 124614406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).