[5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol

C11H10F3N3O — CID 115069424

IUPAC[5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
SMILESNc1c(CO)cnn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)8-3-1-2-4-9(8)17-10(15)7(6-18)5-16-17/h1-5,18H,6,15H2
InChIKeyMGAIFWQCQHBMBA-UHFFFAOYSA-N
MW257.21 g/mol
LogP1.97
Rot. Bonds2

About [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol

[5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol (PubChem CID 115069424) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
PubChem CID115069424
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name[5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
SMILESNc1c(CO)cnn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)8-3-1-2-4-9(8)17-10(15)7(6-18)5-16-17/h1-5,18H,6,15H2
InChIKeyMGAIFWQCQHBMBA-UHFFFAOYSA-N
XLogP1.97
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The IUPAC name of [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol (CID 115069424) is [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The canonical SMILES for [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol is Nc1c(CO)cnn1-c1ccccc1C(F)(F)F.
What is the InChIKey of [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The InChIKey is MGAIFWQCQHBMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)8-3-1-2-4-9(8)17-10(15)7(6-18)5-16-17/h1-5,18H,6,15H2.
What are the key properties of [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
[5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol has a molecular weight of 257.21 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 115069424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).