[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone

C15H10ClF3N2O2S — CID 6484431

IUPAC[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F
InChIInChI=1S/C15H10ClF3N2O2S/c16-10-5-3-9(4-6-10)11-8-14(23,15(17,18)19)21(20-11)13(22)12-2-1-7-24-12/h1-7,23H,8H2
InChIKeyWJFUZIUWDZHJLU-UHFFFAOYSA-N
MW374.77 g/mol
LogP3.90
Rot. Bonds2

About [3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone

[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone (PubChem CID 6484431) has the molecular formula C15H10ClF3N2O2S and a molecular weight of 374.77 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone
PubChem CID6484431
Molecular FormulaC15H10ClF3N2O2S
Molecular Weight374.77 g/mol
Exact Mass374.01
IUPAC Name[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F
InChIInChI=1S/C15H10ClF3N2O2S/c16-10-5-3-9(4-6-10)11-8-14(23,15(17,18)19)21(20-11)13(22)12-2-1-7-24-12/h1-7,23H,8H2
InChIKeyWJFUZIUWDZHJLU-UHFFFAOYSA-N
XLogP3.90
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.77
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone (CID 6484431) is [3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F.
What is the InChIKey of [3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone?
The InChIKey is WJFUZIUWDZHJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O2S/c16-10-5-3-9(4-6-10)11-8-14(23,15(17,18)19)21(20-11)13(22)12-2-1-7-24-12/h1-7,23H,8H2.
What are the key properties of [3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone?
[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone has a molecular weight of 374.77 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 6484431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).