(3,3-difluorocyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol

C16H17F5N2OS — CID 163643050

IUPAC(3,3-difluorocyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
SMILESCn1nc(-c2ccc(C(O)C3CCCC(F)(F)C3)s2)cc1C(F)(F)F
InChIInChI=1S/C16H17F5N2OS/c1-23-13(16(19,20)21)7-10(22-23)11-4-5-12(25-11)14(24)9-3-2-6-15(17,18)8-9/h4-5,7,9,14,24H,2-3,6,8H2,1H3
InChIKeyIFXRJDHCYDEHGE-UHFFFAOYSA-N
MW380.38 g/mol
LogP5.03
Rot. Bonds3

About (3,3-difluorocyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol

(3,3-difluorocyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol (PubChem CID 163643050) has the molecular formula C16H17F5N2OS and a molecular weight of 380.38 g/mol. Its IUPAC name is (3,3-difluorocyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name(3,3-difluorocyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
PubChem CID163643050
Molecular FormulaC16H17F5N2OS
Molecular Weight380.38 g/mol
Exact Mass380.10
IUPAC Name(3,3-difluorocyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
SMILESCn1nc(-c2ccc(C(O)C3CCCC(F)(F)C3)s2)cc1C(F)(F)F
InChIInChI=1S/C16H17F5N2OS/c1-23-13(16(19,20)21)7-10(22-23)11-4-5-12(25-11)14(24)9-3-2-6-15(17,18)8-9/h4-5,7,9,14,24H,2-3,6,8H2,1H3
InChIKeyIFXRJDHCYDEHGE-UHFFFAOYSA-N
XLogP5.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.38
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Methyl-3-thiophen-3-ylpyrazol-5-yl)ethane-1,2-diol
CID 155559694
(1,5-dimethyl-1H-pyrazol-3-yl)(thiophen-3-yl)methanol
CID 121553669
{5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl}methanol
CID 2780713
alpha-[[Methyl[[5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methyl]amino]methyl]-benzenemethanol
CID 10000765
2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-thiophen-3-ylethanol
CID 15604813
2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol
CID 15604814
2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol
CID 15605168
2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol
CID 15605169
4-(1-benzyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1-(4-fluorophenyl)butan-1-ol
CID 57252684
Cyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
CID 58955827
Cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
CID 58955830
2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol
CID 66919329

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol?
The IUPAC name of (3,3-difluorocyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol (CID 163643050) is (3,3-difluorocyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol.
What is the SMILES notation for (3,3-difluorocyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol?
The canonical SMILES for (3,3-difluorocyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol is Cn1nc(-c2ccc(C(O)C3CCCC(F)(F)C3)s2)cc1C(F)(F)F.
What is the InChIKey of (3,3-difluorocyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol?
The InChIKey is IFXRJDHCYDEHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F5N2OS/c1-23-13(16(19,20)21)7-10(22-23)11-4-5-12(25-11)14(24)9-3-2-6-15(17,18)8-9/h4-5,7,9,14,24H,2-3,6,8H2,1H3.
What are the key properties of (3,3-difluorocyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol?
(3,3-difluorocyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol has a molecular weight of 380.38 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol is sourced from PubChem (CID 163643050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).