formic acid;5-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine

C15H12F3N3O2 — CID 142599993

IUPACformic acid;5-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)n2nccc2n1.O=CO
InChIInChI=1S/C14H10F3N3.CH2O2/c1-9-8-12(20-13(19-9)6-7-18-20)10-2-4-11(5-3-10)14(15,16)17;2-1-3/h2-8H,1H3;1H,(H,2,3)
InChIKeyYMNSPJLBTZJBRQ-UHFFFAOYSA-N
MW323.27 g/mol
LogP3.42
Rot. Bonds1

About formic acid;5-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine

formic acid;5-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 142599993) has the molecular formula C15H12F3N3O2 and a molecular weight of 323.27 g/mol. Its IUPAC name is formic acid;5-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Nameformic acid;5-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
PubChem CID142599993
Molecular FormulaC15H12F3N3O2
Molecular Weight323.27 g/mol
Exact Mass323.09
IUPAC Nameformic acid;5-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)n2nccc2n1.O=CO
InChIInChI=1S/C14H10F3N3.CH2O2/c1-9-8-12(20-13(19-9)6-7-18-20)10-2-4-11(5-3-10)14(15,16)17;2-1-3/h2-8H,1H3;1H,(H,2,3)
InChIKeyYMNSPJLBTZJBRQ-UHFFFAOYSA-N
XLogP3.42
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-chloro-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 86608000
1-(4-tert-butylphenyl)-2-[7-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207087
7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 141127549
3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
CID 176715171
(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl-dioxido-oxo-λ5-phosphane
CID 22618018
2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine
CID 154511923
methyl 3-fluoro-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate;methyl 5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 160635776
7-chloro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 45496355
4-tert-butyl-N-[7-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide
CID 67064309
2-[4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetic acid
CID 95916125
5-methyl-2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine
CID 2900694
1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde
CID 15288233

Frequently Asked Questions

What is the IUPAC name of formic acid;5-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of formic acid;5-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine (CID 142599993) is formic acid;5-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for formic acid;5-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for formic acid;5-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine is Cc1cc(-c2ccc(C(F)(F)F)cc2)n2nccc2n1.O=CO.
What is the InChIKey of formic acid;5-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is YMNSPJLBTZJBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3.CH2O2/c1-9-8-12(20-13(19-9)6-7-18-20)10-2-4-11(5-3-10)14(15,16)17;2-1-3/h2-8H,1H3;1H,(H,2,3).
What are the key properties of formic acid;5-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
formic acid;5-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 323.27 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;5-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 142599993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).