3-[1-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-ol

C20H19F3N2O2 — CID 14497446

IUPAC3-[1-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-ol
SMILESCOc1ccc(-n2nc(CCCO)cc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H19F3N2O2/c1-27-18-10-8-17(9-11-18)25-19(13-16(24-25)3-2-12-26)14-4-6-15(7-5-14)20(21,22)23/h4-11,13,26H,2-3,12H2,1H3
InChIKeyGKDAUTZWCZFISK-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.49
Rot. Bonds6

About 3-[1-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-ol

3-[1-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-ol (PubChem CID 14497446) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-ol
PubChem CID14497446
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name3-[1-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-ol
SMILESCOc1ccc(-n2nc(CCCO)cc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H19F3N2O2/c1-27-18-10-8-17(9-11-18)25-19(13-16(24-25)3-2-12-26)14-4-6-15(7-5-14)20(21,22)23/h4-11,13,26H,2-3,12H2,1H3
InChIKeyGKDAUTZWCZFISK-UHFFFAOYSA-N
XLogP4.49
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-ol?
The IUPAC name of 3-[1-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-ol (CID 14497446) is 3-[1-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-ol?
The canonical SMILES for 3-[1-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-ol is COc1ccc(-n2nc(CCCO)cc2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 3-[1-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-ol?
The InChIKey is GKDAUTZWCZFISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-27-18-10-8-17(9-11-18)25-19(13-16(24-25)3-2-12-26)14-4-6-15(7-5-14)20(21,22)23/h4-11,13,26H,2-3,12H2,1H3.
What are the key properties of 3-[1-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-ol?
3-[1-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-ol has a molecular weight of 376.38 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-ol is sourced from PubChem (CID 14497446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).