3-(2-phenylpropan-2-yl)-1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C19H21N5 — CID 82588103

IUPAC3-(2-phenylpropan-2-yl)-1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(C)(c1ccccc1)c1nn(-c2ncccn2)c2c1CNCC2
InChIInChI=1S/C19H21N5/c1-19(2,14-7-4-3-5-8-14)17-15-13-20-12-9-16(15)24(23-17)18-21-10-6-11-22-18/h3-8,10-11,20H,9,12-13H2,1-2H3
InChIKeyFCUWEHKZELNJMS-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.63
Rot. Bonds3

About 3-(2-phenylpropan-2-yl)-1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(2-phenylpropan-2-yl)-1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 82588103) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-(2-phenylpropan-2-yl)-1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(2-phenylpropan-2-yl)-1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID82588103
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name3-(2-phenylpropan-2-yl)-1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(C)(c1ccccc1)c1nn(-c2ncccn2)c2c1CNCC2
InChIInChI=1S/C19H21N5/c1-19(2,14-7-4-3-5-8-14)17-15-13-20-12-9-16(15)24(23-17)18-21-10-6-11-22-18/h3-8,10-11,20H,9,12-13H2,1-2H3
InChIKeyFCUWEHKZELNJMS-UHFFFAOYSA-N
XLogP2.63
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylpropan-2-yl)-1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(2-phenylpropan-2-yl)-1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 82588103) is 3-(2-phenylpropan-2-yl)-1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(2-phenylpropan-2-yl)-1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(2-phenylpropan-2-yl)-1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is CC(C)(c1ccccc1)c1nn(-c2ncccn2)c2c1CNCC2.
What is the InChIKey of 3-(2-phenylpropan-2-yl)-1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is FCUWEHKZELNJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-19(2,14-7-4-3-5-8-14)17-15-13-20-12-9-16(15)24(23-17)18-21-10-6-11-22-18/h3-8,10-11,20H,9,12-13H2,1-2H3.
What are the key properties of 3-(2-phenylpropan-2-yl)-1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(2-phenylpropan-2-yl)-1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 319.41 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylpropan-2-yl)-1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 82588103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).