3-cyclohexyl-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C20H27N3 — CID 82587563

IUPAC3-cyclohexyl-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESc1ccc(CCn2nc(C3CCCCC3)c3c2CCNC3)cc1
InChIInChI=1S/C20H27N3/c1-3-7-16(8-4-1)12-14-23-19-11-13-21-15-18(19)20(22-23)17-9-5-2-6-10-17/h1,3-4,7-8,17,21H,2,5-6,9-15H2
InChIKeyIWUJGQWCLCFIAR-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.82
Rot. Bonds4

About 3-cyclohexyl-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-cyclohexyl-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 82587563) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-cyclohexyl-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID82587563
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name3-cyclohexyl-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESc1ccc(CCn2nc(C3CCCCC3)c3c2CCNC3)cc1
InChIInChI=1S/C20H27N3/c1-3-7-16(8-4-1)12-14-23-19-11-13-21-15-18(19)20(22-23)17-9-5-2-6-10-17/h1,3-4,7-8,17,21H,2,5-6,9-15H2
InChIKeyIWUJGQWCLCFIAR-UHFFFAOYSA-N
XLogP3.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cycloheptyl-1-(cycloheptylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 123485862
3-cyclopropyl-1-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one
CID 82590693
1-(2-chlorophenyl)-3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587587
3-(3-fluorophenyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587747
2-(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)quinoline
CID 110459045
3-cyclohexyl-1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587575
3-(4-chlorophenyl)-1-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine
CID 59752588
3-cyclohexyl-1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 83849486
ethyl 1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 56703895
N-methyl-2-[1-(2-phenylethyl)piperidin-3-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 110262146
methyl 3-(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoate
CID 110459041
1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82588635

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-cyclohexyl-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 82587563) is 3-cyclohexyl-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-cyclohexyl-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-cyclohexyl-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is c1ccc(CCn2nc(C3CCCCC3)c3c2CCNC3)cc1.
What is the InChIKey of 3-cyclohexyl-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is IWUJGQWCLCFIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c1-3-7-16(8-4-1)12-14-23-19-11-13-21-15-18(19)20(22-23)17-9-5-2-6-10-17/h1,3-4,7-8,17,21H,2,5-6,9-15H2.
What are the key properties of 3-cyclohexyl-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-cyclohexyl-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 309.46 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 82587563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).