(1-propylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol

C14H15F3N2OS — CID 63893578

IUPAC(1-propylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
SMILESCCCn1cc(C(O)c2ccc(SC(F)(F)F)cc2)cn1
InChIInChI=1S/C14H15F3N2OS/c1-2-7-19-9-11(8-18-19)13(20)10-3-5-12(6-4-10)21-14(15,16)17/h3-6,8-9,13,20H,2,7H2,1H3
InChIKeyFEHPESJKZQCCKK-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.99
Rot. Bonds5

About (1-propylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol

(1-propylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol (PubChem CID 63893578) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is (1-propylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Name(1-propylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
PubChem CID63893578
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name(1-propylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
SMILESCCCn1cc(C(O)c2ccc(SC(F)(F)F)cc2)cn1
InChIInChI=1S/C14H15F3N2OS/c1-2-7-19-9-11(8-18-19)13(20)10-3-5-12(6-4-10)21-14(15,16)17/h3-6,8-9,13,20H,2,7H2,1H3
InChIKeyFEHPESJKZQCCKK-UHFFFAOYSA-N
XLogP3.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-propylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The IUPAC name of (1-propylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol (CID 63893578) is (1-propylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol.
What is the SMILES notation for (1-propylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The canonical SMILES for (1-propylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol is CCCn1cc(C(O)c2ccc(SC(F)(F)F)cc2)cn1.
What is the InChIKey of (1-propylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The InChIKey is FEHPESJKZQCCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-2-7-19-9-11(8-18-19)13(20)10-3-5-12(6-4-10)21-14(15,16)17/h3-6,8-9,13,20H,2,7H2,1H3.
What are the key properties of (1-propylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
(1-propylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol has a molecular weight of 316.35 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol is sourced from PubChem (CID 63893578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).