5-(1-ethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C12H14F3N5 — CID 135851194

IUPAC5-(1-ethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCn1cc(C2CC(C(F)(F)F)n3nccc3N2)cn1
InChIInChI=1S/C12H14F3N5/c1-2-19-7-8(6-17-19)9-5-10(12(13,14)15)20-11(18-9)3-4-16-20/h3-4,6-7,9-10,18H,2,5H2,1H3
InChIKeyPALHMDVDXXQDRT-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.76
Rot. Bonds2

About 5-(1-ethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

5-(1-ethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 135851194) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(1-ethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID135851194
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC Name5-(1-ethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCn1cc(C2CC(C(F)(F)F)n3nccc3N2)cn1
InChIInChI=1S/C12H14F3N5/c1-2-19-7-8(6-17-19)9-5-10(12(13,14)15)20-11(18-9)3-4-16-20/h3-4,6-7,9-10,18H,2,5H2,1H3
InChIKeyPALHMDVDXXQDRT-UHFFFAOYSA-N
XLogP2.76
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(1-ethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 135851194) is 5-(1-ethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(1-ethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(1-ethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCn1cc(C2CC(C(F)(F)F)n3nccc3N2)cn1.
What is the InChIKey of 5-(1-ethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is PALHMDVDXXQDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-2-19-7-8(6-17-19)9-5-10(12(13,14)15)20-11(18-9)3-4-16-20/h3-4,6-7,9-10,18H,2,5H2,1H3.
What are the key properties of 5-(1-ethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
5-(1-ethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 285.27 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135851194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).