5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C10H10F3N3O — CID 42640735

IUPAC5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCOc1cc(C(F)(F)F)n2nc(C)cc2n1
InChIInChI=1S/C10H10F3N3O/c1-3-17-9-5-7(10(11,12)13)16-8(14-9)4-6(2)15-16/h4-5H,3H2,1-2H3
InChIKeyWXPJMBJYDYLFBZ-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.46
Rot. Bonds2

About 5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 42640735) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID42640735
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCOc1cc(C(F)(F)F)n2nc(C)cc2n1
InChIInChI=1S/C10H10F3N3O/c1-3-17-9-5-7(10(11,12)13)16-8(14-9)4-6(2)15-16/h4-5H,3H2,1-2H3
InChIKeyWXPJMBJYDYLFBZ-UHFFFAOYSA-N
XLogP2.46
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-5-[[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]pyrimidin-2-amine
CID 110245112
1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712401
5-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 110220911
5-(1-cyclohexylpiperidin-3-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 110220919
4-chloro-6-ethoxy-2-(trifluoromethyl)pyrimidine
CID 106766587
ethyl 5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 1221802
2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 60503130
1-[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone
CID 95801688
8-[[(3R)-3-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]quinoline
CID 95801734
5-cyclopropyl-N-(4-ethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447376
1-[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95801662
[4-[[(3R)-3-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]phenyl] acetate
CID 95801736

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 42640735) is 5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is CCOc1cc(C(F)(F)F)n2nc(C)cc2n1.
What is the InChIKey of 5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is WXPJMBJYDYLFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c1-3-17-9-5-7(10(11,12)13)16-8(14-9)4-6(2)15-16/h4-5H,3H2,1-2H3.
What are the key properties of 5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 245.20 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 42640735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).