5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine

C27H15F9N6O2 — CID 142362588

IUPAC5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine
SMILESFC(F)(F)Oc1ccc(-c2cc3ccnn3cn2)cc1.FC(F)(F)Oc1ccc(-c2cnn3ncc(C(F)(F)F)c3c2)cc1
InChIInChI=1S/C14H7F6N3O.C13H8F3N3O/c15-13(16,17)11-7-22-23-12(11)5-9(6-21-23)8-1-3-10(4-2-8)24-14(18,19)20;14-13(15,16)20-11-3-1-9(2-4-11)12-7-10-5-6-18-19(10)8-17-12/h1-7H;1-8H
InChIKeyGYCHOHRYZXQMCC-UHFFFAOYSA-N
MW626.44 g/mol
LogP7.61
Rot. Bonds4

About 5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine

5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine (PubChem CID 142362588) has the molecular formula C27H15F9N6O2 and a molecular weight of 626.44 g/mol. Its IUPAC name is 5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine
PubChem CID142362588
Molecular FormulaC27H15F9N6O2
Molecular Weight626.44 g/mol
Exact Mass626.11
IUPAC Name5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine
SMILESFC(F)(F)Oc1ccc(-c2cc3ccnn3cn2)cc1.FC(F)(F)Oc1ccc(-c2cnn3ncc(C(F)(F)F)c3c2)cc1
InChIInChI=1S/C14H7F6N3O.C13H8F3N3O/c15-13(16,17)11-7-22-23-12(11)5-9(6-21-23)8-1-3-10(4-2-8)24-14(18,19)20;14-13(15,16)20-11-3-1-9(2-4-11)12-7-10-5-6-18-19(10)8-17-12/h1-7H;1-8H
InChIKeyGYCHOHRYZXQMCC-UHFFFAOYSA-N
XLogP7.61
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.44
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine with MolForge

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

Launch Full Analysis

Related Compounds

4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
Pyrazolopyridazine 1
CID 6539361
Pyrazolo[1,5-b]pyridazine deriv. 33
CID 6539375
Pyrazolo[1,5-b]pyridazine deriv. 43
CID 6539385
4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 6539389
Pyrazolo[1,5-b]pyridazine deriv. 69
CID 6539411
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
Methyl substituted pyrazole, 28
CID 23648676
ML347
CID 44577753
4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 44223357

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine?
The IUPAC name of 5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine (CID 142362588) is 5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine.
What is the SMILES notation for 5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine?
The canonical SMILES for 5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine is FC(F)(F)Oc1ccc(-c2cc3ccnn3cn2)cc1.FC(F)(F)Oc1ccc(-c2cnn3ncc(C(F)(F)F)c3c2)cc1.
What is the InChIKey of 5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine?
The InChIKey is GYCHOHRYZXQMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F6N3O.C13H8F3N3O/c15-13(16,17)11-7-22-23-12(11)5-9(6-21-23)8-1-3-10(4-2-8)24-14(18,19)20;14-13(15,16)20-11-3-1-9(2-4-11)12-7-10-5-6-18-19(10)8-17-12/h1-7H;1-8H.
What are the key properties of 5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine?
5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine has a molecular weight of 626.44 g/mol, XLogP of 7.61, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine is sourced from PubChem (CID 142362588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).