5-(4-phenylpiperazin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C17H16F3N5 — CID 134852604

IUPAC5-(4-phenylpiperazin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(N2CCN(c3ccccc3)CC2)nc2ccnn12
InChIInChI=1S/C17H16F3N5/c18-17(19,20)14-12-16(22-15-6-7-21-25(14)15)24-10-8-23(9-11-24)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeySGEWOJDKVYZUOI-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.07
Rot. Bonds2

About 5-(4-phenylpiperazin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

5-(4-phenylpiperazin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 134852604) has the molecular formula C17H16F3N5 and a molecular weight of 347.34 g/mol. Its IUPAC name is 5-(4-phenylpiperazin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-phenylpiperazin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID134852604
Molecular FormulaC17H16F3N5
Molecular Weight347.34 g/mol
Exact Mass347.14
IUPAC Name5-(4-phenylpiperazin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(N2CCN(c3ccccc3)CC2)nc2ccnn12
InChIInChI=1S/C17H16F3N5/c18-17(19,20)14-12-16(22-15-6-7-21-25(14)15)24-10-8-23(9-11-24)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeySGEWOJDKVYZUOI-UHFFFAOYSA-N
XLogP3.07
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Adipiplon
CID 11198924
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
R121919
CID 9821250
(R)-Zinc-3573
CID 95882507
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
N,N'-Diphenylpyrazolo(1,5-A)(1,3,5)triazine-2,4-diamine
CID 24779674
2-(4-Ethylpiperazin-1-yl)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779677
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
Jnj-42153605
CID 49765871

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylpiperazin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-phenylpiperazin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 134852604) is 5-(4-phenylpiperazin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-phenylpiperazin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-phenylpiperazin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(N2CCN(c3ccccc3)CC2)nc2ccnn12.
What is the InChIKey of 5-(4-phenylpiperazin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is SGEWOJDKVYZUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5/c18-17(19,20)14-12-16(22-15-6-7-21-25(14)15)24-10-8-23(9-11-24)13-4-2-1-3-5-13/h1-7,12H,8-11H2.
What are the key properties of 5-(4-phenylpiperazin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-(4-phenylpiperazin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 347.34 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylpiperazin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 134852604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).