2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

C10H7F3N2O — CID 690719

IUPAC2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESOc1ccccc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)9-5-7(14-15-9)6-3-1-2-4-8(6)16/h1-5,16H,(H,14,15)
InChIKeyOTVRWKSAXMIQRR-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.80
Rot. Bonds1

About 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (PubChem CID 690719) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
PubChem CID690719
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESOc1ccccc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)9-5-7(14-15-9)6-3-1-2-4-8(6)16/h1-5,16H,(H,14,15)
InChIKeyOTVRWKSAXMIQRR-UHFFFAOYSA-N
XLogP2.80
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (CID 690719) is 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is Oc1ccccc1-c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is OTVRWKSAXMIQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c11-10(12,13)9-5-7(14-15-9)6-3-1-2-4-8(6)16/h1-5,16H,(H,14,15).
What are the key properties of 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol has a molecular weight of 228.17 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 690719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).