4-propan-2-yl-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

C10H14F3N3 — CID 176600454

IUPAC4-propan-2-yl-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCC(C)N1CCCn2nc(C(F)(F)F)cc21
InChIInChI=1S/C10H14F3N3/c1-7(2)15-4-3-5-16-9(15)6-8(14-16)10(11,12)13/h6-7H,3-5H2,1-2H3
InChIKeyURGFGWKBKUEAPY-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.52
Rot. Bonds1

About 4-propan-2-yl-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

4-propan-2-yl-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (PubChem CID 176600454) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 4-propan-2-yl-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name4-propan-2-yl-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
PubChem CID176600454
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name4-propan-2-yl-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCC(C)N1CCCn2nc(C(F)(F)F)cc21
InChIInChI=1S/C10H14F3N3/c1-7(2)15-4-3-5-16-9(15)6-8(14-16)10(11,12)13/h6-7H,3-5H2,1-2H3
InChIKeyURGFGWKBKUEAPY-UHFFFAOYSA-N
XLogP2.52
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 135600434
2-methyl-4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidine
CID 136108556
2,6-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136300223
2-(Trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136621556
5-Cyclopropyl-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 135645608
2-methyl-6-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 135833150
2,5-Dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 135646596
1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 19623304
1-isopropyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 25252407
N-isopropyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 71633044
3-(3,3-Difluoroazetidin-1-yl)-1,5-dimethylpyrazole
CID 118448522
N-methyl-1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 147227911

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 4-propan-2-yl-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (CID 176600454) is 4-propan-2-yl-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 4-propan-2-yl-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 4-propan-2-yl-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is CC(C)N1CCCn2nc(C(F)(F)F)cc21.
What is the InChIKey of 4-propan-2-yl-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is URGFGWKBKUEAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-7(2)15-4-3-5-16-9(15)6-8(14-16)10(11,12)13/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-propan-2-yl-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
4-propan-2-yl-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 233.24 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 176600454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).