7-(difluoromethyl)-3-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C13H14F2N4 — CID 136838113

IUPAC7-(difluoromethyl)-3-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1c(-c2ccncc2)nn2c1NCCC2C(F)F
InChIInChI=1S/C13H14F2N4/c1-8-11(9-2-5-16-6-3-9)18-19-10(12(14)15)4-7-17-13(8)19/h2-3,5-6,10,12,17H,4,7H2,1H3
InChIKeyDXTWAAVIPYNZDE-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.88
Rot. Bonds2

About 7-(difluoromethyl)-3-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-(difluoromethyl)-3-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838113) has the molecular formula C13H14F2N4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 7-(difluoromethyl)-3-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(difluoromethyl)-3-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838113
Molecular FormulaC13H14F2N4
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name7-(difluoromethyl)-3-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1c(-c2ccncc2)nn2c1NCCC2C(F)F
InChIInChI=1S/C13H14F2N4/c1-8-11(9-2-5-16-6-3-9)18-19-10(12(14)15)4-7-17-13(8)19/h2-3,5-6,10,12,17H,4,7H2,1H3
InChIKeyDXTWAAVIPYNZDE-UHFFFAOYSA-N
XLogP2.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(difluoromethyl)-3-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-3-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(difluoromethyl)-3-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838113) is 7-(difluoromethyl)-3-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(difluoromethyl)-3-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(difluoromethyl)-3-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1c(-c2ccncc2)nn2c1NCCC2C(F)F.
What is the InChIKey of 7-(difluoromethyl)-3-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is DXTWAAVIPYNZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4/c1-8-11(9-2-5-16-6-3-9)18-19-10(12(14)15)4-7-17-13(8)19/h2-3,5-6,10,12,17H,4,7H2,1H3.
What are the key properties of 7-(difluoromethyl)-3-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(difluoromethyl)-3-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 264.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-3-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).