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

C10H14F3N3 — CID 134571874

IUPAC4-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCC(C)N1CCC(C(F)(F)F)n2nccc21
InChIInChI=1S/C10H14F3N3/c1-7(2)15-6-4-8(10(11,12)13)16-9(15)3-5-14-16/h3,5,7-8H,4,6H2,1-2H3
InChIKeyWLLIKUFYACLYQT-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.61
Rot. Bonds1

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

4-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (PubChem CID 134571874) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 4-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name4-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
PubChem CID134571874
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name4-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCC(C)N1CCC(C(F)(F)F)n2nccc21
InChIInChI=1S/C10H14F3N3/c1-7(2)15-6-4-8(10(11,12)13)16-9(15)3-5-14-16/h3,5,7-8H,4,6H2,1-2H3
InChIKeyWLLIKUFYACLYQT-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 4-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (CID 134571874) is 4-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 4-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 4-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is CC(C)N1CCC(C(F)(F)F)n2nccc21.
What is the InChIKey of 4-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is WLLIKUFYACLYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-7(2)15-6-4-8(10(11,12)13)16-9(15)3-5-14-16/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of 4-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
4-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 233.24 g/mol, XLogP of 2.61, 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-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 134571874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).