2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol

C16H14F3N7O — CID 3604237

IUPAC2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESCc1ccc(C2=NN(c3nc(N)cc4ncnn34)C(O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C16H14F3N7O/c1-9-2-4-10(5-3-9)11-7-15(27,16(17,18)19)26(24-11)14-23-12(20)6-13-21-8-22-25(13)14/h2-6,8,27H,7,20H2,1H3
InChIKeyULZNQUGONRHGHC-UHFFFAOYSA-N
MW377.33 g/mol
LogP1.88
Rot. Bonds2

About 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol

2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol (PubChem CID 3604237) has the molecular formula C16H14F3N7O and a molecular weight of 377.33 g/mol. Its IUPAC name is 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol.

Molecular Properties

Compound Name2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
PubChem CID3604237
Molecular FormulaC16H14F3N7O
Molecular Weight377.33 g/mol
Exact Mass377.12
IUPAC Name2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESCc1ccc(C2=NN(c3nc(N)cc4ncnn34)C(O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C16H14F3N7O/c1-9-2-4-10(5-3-9)11-7-15(27,16(17,18)19)26(24-11)14-23-12(20)6-13-21-8-22-25(13)14/h2-6,8,27H,7,20H2,1H3
InChIKeyULZNQUGONRHGHC-UHFFFAOYSA-N
XLogP1.88
TPSA104.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The IUPAC name of 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol (CID 3604237) is 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol.
What is the SMILES notation for 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The canonical SMILES for 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol is Cc1ccc(C2=NN(c3nc(N)cc4ncnn34)C(O)(C(F)(F)F)C2)cc1.
What is the InChIKey of 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The InChIKey is ULZNQUGONRHGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N7O/c1-9-2-4-10(5-3-9)11-7-15(27,16(17,18)19)26(24-11)14-23-12(20)6-13-21-8-22-25(13)14/h2-6,8,27H,7,20H2,1H3.
What are the key properties of 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol has a molecular weight of 377.33 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol is sourced from PubChem (CID 3604237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).