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

C11H10F3N3O2 — CID 65361890

IUPAC(5-amino-1H-pyrazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol
SMILESNc1[nH]ncc1C(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)19-8-4-2-1-3-6(8)9(18)7-5-16-17-10(7)15/h1-5,9,18H,(H3,15,16,17)
InChIKeyMDPYBMGYTUHFFO-UHFFFAOYSA-N
MW273.21 g/mol
LogP1.97
Rot. Bonds3

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

(5-amino-1H-pyrazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol (PubChem CID 65361890) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol
PubChem CID65361890
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name(5-amino-1H-pyrazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol
SMILESNc1[nH]ncc1C(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)19-8-4-2-1-3-6(8)9(18)7-5-16-17-10(7)15/h1-5,9,18H,(H3,15,16,17)
InChIKeyMDPYBMGYTUHFFO-UHFFFAOYSA-N
XLogP1.97
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol (CID 65361890) is (5-amino-1H-pyrazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol is Nc1[nH]ncc1C(O)c1ccccc1OC(F)(F)F.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol?
The InChIKey is MDPYBMGYTUHFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c12-11(13,14)19-8-4-2-1-3-6(8)9(18)7-5-16-17-10(7)15/h1-5,9,18H,(H3,15,16,17).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol?
(5-amino-1H-pyrazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol has a molecular weight of 273.21 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 65361890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).