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

C15H12F3N3O — CID 142362632

IUPAC3-methyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine
SMILESCc1cc(OC(F)(F)F)ccc1-c1cc2c(C)cnn2cn1
InChIInChI=1S/C15H12F3N3O/c1-9-5-11(22-15(16,17)18)3-4-12(9)13-6-14-10(2)7-20-21(14)8-19-13/h3-8H,1-2H3
InChIKeyMYRIYMKXRAPYAE-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.91
Rot. Bonds2

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

3-methyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine (PubChem CID 142362632) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is 3-methyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name3-methyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine
PubChem CID142362632
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name3-methyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine
SMILESCc1cc(OC(F)(F)F)ccc1-c1cc2c(C)cnn2cn1
InChIInChI=1S/C15H12F3N3O/c1-9-5-11(22-15(16,17)18)3-4-12(9)13-6-14-10(2)7-20-21(14)8-19-13/h3-8H,1-2H3
InChIKeyMYRIYMKXRAPYAE-UHFFFAOYSA-N
XLogP3.91
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methane;7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine
CID 160502176
methane;3-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine
CID 160912434
5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine
CID 134541735
6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 134555663
1,3-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazole
CID 134543652
6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 134543915
3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine
CID 142362562
3-ethyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 163884283
6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(phenylmethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 146470305
7-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine
CID 134543465
[2-methyl-5-[4-[2-methyl-4-(trifluoromethoxy)phenyl]triazol-2-yl]phenyl]methylcarbamic acid
CID 141403897
N,N-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
CID 134559785

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine?
The IUPAC name of 3-methyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine (CID 142362632) is 3-methyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine.
What is the SMILES notation for 3-methyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine?
The canonical SMILES for 3-methyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine is Cc1cc(OC(F)(F)F)ccc1-c1cc2c(C)cnn2cn1.
What is the InChIKey of 3-methyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine?
The InChIKey is MYRIYMKXRAPYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c1-9-5-11(22-15(16,17)18)3-4-12(9)13-6-14-10(2)7-20-21(14)8-19-13/h3-8H,1-2H3.
What are the key properties of 3-methyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine?
3-methyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine has a molecular weight of 307.28 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine is sourced from PubChem (CID 142362632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).