7-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C12H14F3N5 — CID 136838173

IUPAC7-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCn1cc(C2CCNc3cc(C(F)(F)F)nn32)cn1
InChIInChI=1S/C12H14F3N5/c1-2-19-7-8(6-17-19)9-3-4-16-11-5-10(12(13,14)15)18-20(9)11/h5-7,9,16H,2-4H2,1H3
InChIKeyHNNPXZGMEQYMRK-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.52
Rot. Bonds2

About 7-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838173) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 7-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838173
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC Name7-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCn1cc(C2CCNc3cc(C(F)(F)F)nn32)cn1
InChIInChI=1S/C12H14F3N5/c1-2-19-7-8(6-17-19)9-3-4-16-11-5-10(12(13,14)15)18-20(9)11/h5-7,9,16H,2-4H2,1H3
InChIKeyHNNPXZGMEQYMRK-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838173) is 7-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCn1cc(C2CCNc3cc(C(F)(F)F)nn32)cn1.
What is the InChIKey of 7-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is HNNPXZGMEQYMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-2-19-7-8(6-17-19)9-3-4-16-11-5-10(12(13,14)15)18-20(9)11/h5-7,9,16H,2-4H2,1H3.
What are the key properties of 7-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 285.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).