cyclohexyl-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]methanol

C17H22F2N2OS — CID 143534018

IUPACcyclohexyl-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]methanol
SMILESCn1nc(-c2ccc(C(O)C3CCCCC3)s2)cc1C(C)(F)F
InChIInChI=1S/C17H22F2N2OS/c1-17(18,19)15-10-12(20-21(15)2)13-8-9-14(23-13)16(22)11-6-4-3-5-7-11/h8-11,16,22H,3-7H2,1-2H3
InChIKeyNSDOULYKQANYHU-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.87
Rot. Bonds4

About cyclohexyl-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]methanol

cyclohexyl-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]methanol (PubChem CID 143534018) has the molecular formula C17H22F2N2OS and a molecular weight of 340.44 g/mol. Its IUPAC name is cyclohexyl-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]methanol.

Molecular Properties

Compound Namecyclohexyl-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]methanol
PubChem CID143534018
Molecular FormulaC17H22F2N2OS
Molecular Weight340.44 g/mol
Exact Mass340.14
IUPAC Namecyclohexyl-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]methanol
SMILESCn1nc(-c2ccc(C(O)C3CCCCC3)s2)cc1C(C)(F)F
InChIInChI=1S/C17H22F2N2OS/c1-17(18,19)15-10-12(20-21(15)2)13-8-9-14(23-13)16(22)11-6-4-3-5-7-11/h8-11,16,22H,3-7H2,1-2H3
InChIKeyNSDOULYKQANYHU-UHFFFAOYSA-N
XLogP4.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}piperidin-4-yl)(2-thienyl)methanol
CID 16190164
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)-6-cyclopropyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol
CID 15604896
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

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]methanol?
The IUPAC name of cyclohexyl-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]methanol (CID 143534018) is cyclohexyl-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]methanol.
What is the SMILES notation for cyclohexyl-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]methanol?
The canonical SMILES for cyclohexyl-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]methanol is Cn1nc(-c2ccc(C(O)C3CCCCC3)s2)cc1C(C)(F)F.
What is the InChIKey of cyclohexyl-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]methanol?
The InChIKey is NSDOULYKQANYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2OS/c1-17(18,19)15-10-12(20-21(15)2)13-8-9-14(23-13)16(22)11-6-4-3-5-7-11/h8-11,16,22H,3-7H2,1-2H3.
What are the key properties of cyclohexyl-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]methanol?
cyclohexyl-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]methanol has a molecular weight of 340.44 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]methanol is sourced from PubChem (CID 143534018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).