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

C15H11ClF3N7O — CID 4191097

IUPAC2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-chlorophenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESNc1cc2ncnn2c(N2N=C(c3ccc(Cl)cc3)CC2(O)C(F)(F)F)n1
InChIInChI=1S/C15H11ClF3N7O/c16-9-3-1-8(2-4-9)10-6-14(27,15(17,18)19)26(24-10)13-23-11(20)5-12-21-7-22-25(12)13/h1-5,7,27H,6,20H2
InChIKeyRTVLZENHCGYGNN-UHFFFAOYSA-N
MW397.75 g/mol
LogP2.23
Rot. Bonds2

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

2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-chlorophenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol (PubChem CID 4191097) has the molecular formula C15H11ClF3N7O and a molecular weight of 397.75 g/mol. Its IUPAC name is 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-chlorophenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol.

Molecular Properties

Compound Name2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-chlorophenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
PubChem CID4191097
Molecular FormulaC15H11ClF3N7O
Molecular Weight397.75 g/mol
Exact Mass397.07
IUPAC Name2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-chlorophenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESNc1cc2ncnn2c(N2N=C(c3ccc(Cl)cc3)CC2(O)C(F)(F)F)n1
InChIInChI=1S/C15H11ClF3N7O/c16-9-3-1-8(2-4-9)10-6-14(27,15(17,18)19)26(24-10)13-23-11(20)5-12-21-7-22-25(12)13/h1-5,7,27H,6,20H2
InChIKeyRTVLZENHCGYGNN-UHFFFAOYSA-N
XLogP2.23
TPSA104.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.75
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-chlorophenyl)-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-chlorophenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol (CID 4191097) is 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol is Nc1cc2ncnn2c(N2N=C(c3ccc(Cl)cc3)CC2(O)C(F)(F)F)n1.
What is the InChIKey of 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-chlorophenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The InChIKey is RTVLZENHCGYGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N7O/c16-9-3-1-8(2-4-9)10-6-14(27,15(17,18)19)26(24-10)13-23-11(20)5-12-21-7-22-25(12)13/h1-5,7,27H,6,20H2.
What are the key properties of 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-chlorophenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-chlorophenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol has a molecular weight of 397.75 g/mol, XLogP of 2.23, 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-chlorophenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol is sourced from PubChem (CID 4191097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).