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

C14H10F3N3O — CID 127044562

IUPAC3-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2ccc(-c3ccc(OC(F)(F)F)cc3)nc12
InChIInChI=1S/C14H10F3N3O/c1-9-8-18-20-7-6-12(19-13(9)20)10-2-4-11(5-3-10)21-14(15,16)17/h2-8H,1H3
InChIKeyKBVZVELFNIGUIP-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.60
Rot. Bonds2

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

3-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 127044562) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 3-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
PubChem CID127044562
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name3-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2ccc(-c3ccc(OC(F)(F)F)cc3)nc12
InChIInChI=1S/C14H10F3N3O/c1-9-8-18-20-7-6-12(19-13(9)20)10-2-4-11(5-3-10)21-14(15,16)17/h2-8H,1H3
InChIKeyKBVZVELFNIGUIP-UHFFFAOYSA-N
XLogP3.60
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
7-(4,6-Di-tert-butylpyrimidin-2-yl)-3-(4-trifluoromethoxyphenyl)-5,6,7,8-tetrahydro(1,2,4)triazolo(4,3-a)pyrazine
CID 91884614
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
Pci 29732
CID 22347110
6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337
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
4-(6-Methoxypyrazolo[1,5-b]pyridazin-3-yl)-N-(3-(trifluoromethoxy)phenyl)pyrimidin-2-amine
CID 6539385
4-(2-(4-Methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl)-N-(3-(trifluoromethyl)phenyl)pyrimidin-2-amine
CID 6539411
N-(3,4-Difluorophenyl)-4-(2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
CID 6539412
Methyl substituted pyrazole, 28
CID 23648676
GS-458967
CID 58118983

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine (CID 127044562) is 3-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine is Cc1cnn2ccc(-c3ccc(OC(F)(F)F)cc3)nc12.
What is the InChIKey of 3-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is KBVZVELFNIGUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c1-9-8-18-20-7-6-12(19-13(9)20)10-2-4-11(5-3-10)21-14(15,16)17/h2-8H,1H3.
What are the key properties of 3-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
3-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 293.25 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 127044562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).