5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C12H14F3N5 — CID 135646589

IUPAC5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn(C)cc1C1CC(C(F)(F)F)n2nccc2N1
InChIInChI=1S/C12H14F3N5/c1-7-8(6-19(2)18-7)9-5-10(12(13,14)15)20-11(17-9)3-4-16-20/h3-4,6,9-10,17H,5H2,1-2H3
InChIKeyIRCFFWFAEMHKTA-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.59
Rot. Bonds1

About 5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 135646589) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID135646589
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC Name5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn(C)cc1C1CC(C(F)(F)F)n2nccc2N1
InChIInChI=1S/C12H14F3N5/c1-7-8(6-19(2)18-7)9-5-10(12(13,14)15)20-11(17-9)3-4-16-20/h3-4,6,9-10,17H,5H2,1-2H3
InChIKeyIRCFFWFAEMHKTA-UHFFFAOYSA-N
XLogP2.59
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-1-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine
CID 32874371
N-[(1-methylpyrazol-4-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 86808876
5-(1,5-dimethyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 135646590
5-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 135646591
1-(2-Methylpyrazol-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 138020388
7-(difluoromethyl)-5-(1,3-dimethyl-1H-pyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 4773372
5-(1,3-Dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 171314919
5-sec-butyl-N-(1-methylethyl)-2-(1H-pyrazol-1-yl)-6-trifluoromethylpyrimidine-4-amine
CID 68950468
1-Methyl-3-(1,1,2,2,2-pentafluoroethyl)-5-pyrazol-1-yl-4-(trifluoromethyl)pyrazole
CID 88314089
2-N-[3-[(1S,2R)-2-(aminomethyl)cyclopropyl]-1-cyclopropylpyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 134278011
2-bromo-5-(1,3-dimethyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136344401
(5S,7R)-2-bromo-5-(1,3-dimethyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136492809

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 135646589) is 5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1nn(C)cc1C1CC(C(F)(F)F)n2nccc2N1.
What is the InChIKey of 5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is IRCFFWFAEMHKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-7-8(6-19(2)18-7)9-5-10(12(13,14)15)20-11(17-9)3-4-16-20/h3-4,6,9-10,17H,5H2,1-2H3.
What are the key properties of 5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 285.27 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135646589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).