4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinazoline

C15H12F3N5 — CID 56795520

IUPAC4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinazoline
SMILESFC(F)(F)c1n[nH]c2c1CN(c1ncnc3ccccc13)CC2
InChIInChI=1S/C15H12F3N5/c16-15(17,18)13-10-7-23(6-5-12(10)21-22-13)14-9-3-1-2-4-11(9)19-8-20-14/h1-4,8H,5-7H2,(H,21,22)
InChIKeyRTDJJKLCBGOPFK-UHFFFAOYSA-N
MW319.29 g/mol
LogP2.93
Rot. Bonds1

About 4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinazoline

4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinazoline (PubChem CID 56795520) has the molecular formula C15H12F3N5 and a molecular weight of 319.29 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinazoline.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinazoline
PubChem CID56795520
Molecular FormulaC15H12F3N5
Molecular Weight319.29 g/mol
Exact Mass319.10
IUPAC Name4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinazoline
SMILESFC(F)(F)c1n[nH]c2c1CN(c1ncnc3ccccc13)CC2
InChIInChI=1S/C15H12F3N5/c16-15(17,18)13-10-7-23(6-5-12(10)21-22-13)14-9-3-1-2-4-11(9)19-8-20-14/h1-4,8H,5-7H2,(H,21,22)
InChIKeyRTDJJKLCBGOPFK-UHFFFAOYSA-N
XLogP2.93
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinazoline?
The IUPAC name of 4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinazoline (CID 56795520) is 4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinazoline.
What is the SMILES notation for 4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinazoline?
The canonical SMILES for 4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinazoline is FC(F)(F)c1n[nH]c2c1CN(c1ncnc3ccccc13)CC2.
What is the InChIKey of 4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinazoline?
The InChIKey is RTDJJKLCBGOPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5/c16-15(17,18)13-10-7-23(6-5-12(10)21-22-13)14-9-3-1-2-4-11(9)19-8-20-14/h1-4,8H,5-7H2,(H,21,22).
What are the key properties of 4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinazoline?
4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinazoline has a molecular weight of 319.29 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinazoline is sourced from PubChem (CID 56795520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).