[4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol

C12H11F3N2O — CID 121379911

IUPAC[4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol
SMILESCc1cn(-c2ccc(C(F)(F)F)cc2)nc1CO
InChIInChI=1S/C12H11F3N2O/c1-8-6-17(16-11(8)7-18)10-4-2-9(3-5-10)12(13,14)15/h2-6,18H,7H2,1H3
InChIKeyAIQFBEDBJFRVMN-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.69
Rot. Bonds2

About [4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol

[4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol (PubChem CID 121379911) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is [4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol
PubChem CID121379911
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name[4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol
SMILESCc1cn(-c2ccc(C(F)(F)F)cc2)nc1CO
InChIInChI=1S/C12H11F3N2O/c1-8-6-17(16-11(8)7-18)10-4-2-9(3-5-10)12(13,14)15/h2-6,18H,7H2,1H3
InChIKeyAIQFBEDBJFRVMN-UHFFFAOYSA-N
XLogP2.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol?
The IUPAC name of [4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol (CID 121379911) is [4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol.
What is the SMILES notation for [4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol?
The canonical SMILES for [4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol is Cc1cn(-c2ccc(C(F)(F)F)cc2)nc1CO.
What is the InChIKey of [4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol?
The InChIKey is AIQFBEDBJFRVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-8-6-17(16-11(8)7-18)10-4-2-9(3-5-10)12(13,14)15/h2-6,18H,7H2,1H3.
What are the key properties of [4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol?
[4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol has a molecular weight of 256.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol is sourced from PubChem (CID 121379911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).