[1-[[4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrazol-4-yl]methanol

C19H17F3N2O2 — CID 166351969

IUPAC[1-[[4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrazol-4-yl]methanol
SMILESCc1cc(OC(F)(F)F)ccc1-c1ccc(Cn2cc(CO)cn2)cc1
InChIInChI=1S/C19H17F3N2O2/c1-13-8-17(26-19(20,21)22)6-7-18(13)16-4-2-14(3-5-16)10-24-11-15(12-25)9-23-24/h2-9,11,25H,10,12H2,1H3
InChIKeyKMHWOVGLZAMOCS-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.30
Rot. Bonds5

About [1-[[4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrazol-4-yl]methanol

[1-[[4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrazol-4-yl]methanol (PubChem CID 166351969) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is [1-[[4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrazol-4-yl]methanol
PubChem CID166351969
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name[1-[[4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrazol-4-yl]methanol
SMILESCc1cc(OC(F)(F)F)ccc1-c1ccc(Cn2cc(CO)cn2)cc1
InChIInChI=1S/C19H17F3N2O2/c1-13-8-17(26-19(20,21)22)6-7-18(13)16-4-2-14(3-5-16)10-24-11-15(12-25)9-23-24/h2-9,11,25H,10,12H2,1H3
InChIKeyKMHWOVGLZAMOCS-UHFFFAOYSA-N
XLogP4.30
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrazol-4-yl]methanol?
The IUPAC name of [1-[[4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrazol-4-yl]methanol (CID 166351969) is [1-[[4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [1-[[4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrazol-4-yl]methanol?
The canonical SMILES for [1-[[4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrazol-4-yl]methanol is Cc1cc(OC(F)(F)F)ccc1-c1ccc(Cn2cc(CO)cn2)cc1.
What is the InChIKey of [1-[[4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrazol-4-yl]methanol?
The InChIKey is KMHWOVGLZAMOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-13-8-17(26-19(20,21)22)6-7-18(13)16-4-2-14(3-5-16)10-24-11-15(12-25)9-23-24/h2-9,11,25H,10,12H2,1H3.
What are the key properties of [1-[[4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrazol-4-yl]methanol?
[1-[[4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrazol-4-yl]methanol has a molecular weight of 362.35 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 166351969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).