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

C15H17Cl2N3 — CID 82586825

IUPAC1-(2,3-dichlorophenyl)-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(C)c1nn(-c2cccc(Cl)c2Cl)c2c1CNCC2
InChIInChI=1S/C15H17Cl2N3/c1-9(2)15-10-8-18-7-6-12(10)20(19-15)13-5-3-4-11(16)14(13)17/h3-5,9,18H,6-8H2,1-2H3
InChIKeyVNHAJSDVQWKQMJ-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.95
Rot. Bonds2

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

1-(2,3-dichlorophenyl)-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 82586825) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID82586825
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC Name1-(2,3-dichlorophenyl)-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(C)c1nn(-c2cccc(Cl)c2Cl)c2c1CNCC2
InChIInChI=1S/C15H17Cl2N3/c1-9(2)15-10-8-18-7-6-12(10)20(19-15)13-5-3-4-11(16)14(13)17/h3-5,9,18H,6-8H2,1-2H3
InChIKeyVNHAJSDVQWKQMJ-UHFFFAOYSA-N
XLogP3.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoate
CID 82586815
1-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110459079
3-benzhydryl-1-(2,3-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3322892
1-(2-chlorophenyl)-3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587587
1-(2,3-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 16778003
1-(2,3-dichlorophenyl)-3-(2-methylpropyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 5141563
1-(2,4-dichlorophenyl)-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3989603
1-(2-fluorophenyl)-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3932177
1-(2,3-dichlorophenyl)-3-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3530084
1-(2,3-dichlorophenyl)-3-(2,6-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4040472
1-(2,3-dichlorophenyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 82592658
1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82586595

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 82586825) is 1-(2,3-dichlorophenyl)-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is CC(C)c1nn(-c2cccc(Cl)c2Cl)c2c1CNCC2.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is VNHAJSDVQWKQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c1-9(2)15-10-8-18-7-6-12(10)20(19-15)13-5-3-4-11(16)14(13)17/h3-5,9,18H,6-8H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
1-(2,3-dichlorophenyl)-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 310.23 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 82586825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).