2-methyl-7-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C14H14F3N3 — CID 136709236

IUPAC2-methyl-7-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1cc2n(n1)C(c1cccc(C(F)(F)F)c1)CCN2
InChIInChI=1S/C14H14F3N3/c1-9-7-13-18-6-5-12(20(13)19-9)10-3-2-4-11(8-10)14(15,16)17/h2-4,7-8,12,18H,5-6H2,1H3
InChIKeyFSFKYYZSICNIOO-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.62
Rot. Bonds1

About 2-methyl-7-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

2-methyl-7-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136709236) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-methyl-7-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-7-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136709236
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name2-methyl-7-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1cc2n(n1)C(c1cccc(C(F)(F)F)c1)CCN2
InChIInChI=1S/C14H14F3N3/c1-9-7-13-18-6-5-12(20(13)19-9)10-3-2-4-11(8-10)14(15,16)17/h2-4,7-8,12,18H,5-6H2,1H3
InChIKeyFSFKYYZSICNIOO-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-7-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136709236) is 2-methyl-7-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-7-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-7-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1cc2n(n1)C(c1cccc(C(F)(F)F)c1)CCN2.
What is the InChIKey of 2-methyl-7-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is FSFKYYZSICNIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-9-7-13-18-6-5-12(20(13)19-9)10-3-2-4-11(8-10)14(15,16)17/h2-4,7-8,12,18H,5-6H2,1H3.
What are the key properties of 2-methyl-7-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-methyl-7-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 281.28 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136709236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).