5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine

C29H19F9N6O2 — CID 142362570

IUPAC5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine
SMILESCc1cc(OC(F)(F)F)ccc1-c1cc2c(C(F)(F)F)cnn2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cc2ccnn2cn1
InChIInChI=1S/C15H9F6N3O.C14H10F3N3O/c1-8-4-9(25-15(19,20)21)2-3-10(8)12-5-13-11(14(16,17)18)6-23-24(13)7-22-12;1-9-6-11(21-14(15,16)17)2-3-12(9)13-7-10-4-5-19-20(10)8-18-13/h2-7H,1H3;2-8H,1H3
InChIKeyOWESOYZWWOTWOY-UHFFFAOYSA-N
MW654.49 g/mol
LogP8.23
Rot. Bonds4

About 5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine

5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine (PubChem CID 142362570) has the molecular formula C29H19F9N6O2 and a molecular weight of 654.49 g/mol. Its IUPAC name is 5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine
PubChem CID142362570
Molecular FormulaC29H19F9N6O2
Molecular Weight654.49 g/mol
Exact Mass654.14
IUPAC Name5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine
SMILESCc1cc(OC(F)(F)F)ccc1-c1cc2c(C(F)(F)F)cnn2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cc2ccnn2cn1
InChIInChI=1S/C15H9F6N3O.C14H10F3N3O/c1-8-4-9(25-15(19,20)21)2-3-10(8)12-5-13-11(14(16,17)18)6-23-24(13)7-22-12;1-9-6-11(21-14(15,16)17)2-3-12(9)13-7-10-4-5-19-20(10)8-18-13/h2-7H,1H3;2-8H,1H3
InChIKeyOWESOYZWWOTWOY-UHFFFAOYSA-N
XLogP8.23
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.49
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,3-c]pyridine
CID 74223726
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
3-(4-fluoro-3-methoxyphenyl)-7-(2-methyl-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879520
4-(azetidin-1-yl)-5-[5-(4-methoxy-2-methylphenyl)-1-methyl-1H-pyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181883
4-(Azetidin-1-yl)-5-[5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181996

Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine?
The IUPAC name of 5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine (CID 142362570) is 5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine.
What is the SMILES notation for 5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine?
The canonical SMILES for 5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine is Cc1cc(OC(F)(F)F)ccc1-c1cc2c(C(F)(F)F)cnn2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cc2ccnn2cn1.
What is the InChIKey of 5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine?
The InChIKey is OWESOYZWWOTWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6N3O.C14H10F3N3O/c1-8-4-9(25-15(19,20)21)2-3-10(8)12-5-13-11(14(16,17)18)6-23-24(13)7-22-12;1-9-6-11(21-14(15,16)17)2-3-12(9)13-7-10-4-5-19-20(10)8-18-13/h2-7H,1H3;2-8H,1H3.
What are the key properties of 5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine?
5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine has a molecular weight of 654.49 g/mol, XLogP of 8.23, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine is sourced from PubChem (CID 142362570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).