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

C14H15Cl2N3O — CID 82588522

IUPAC2-[3-(3,5-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol
SMILESOCCn1nc(-c2cc(Cl)cc(Cl)c2)c2c1CCNC2
InChIInChI=1S/C14H15Cl2N3O/c15-10-5-9(6-11(16)7-10)14-12-8-17-2-1-13(12)19(18-14)3-4-20/h5-7,17,20H,1-4,8H2
InChIKeyNJMGMZMUOROICU-UHFFFAOYSA-N
MW312.20 g/mol
LogP2.49
Rot. Bonds3

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

2-[3-(3,5-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol (PubChem CID 82588522) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-[3-(3,5-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(3,5-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol
PubChem CID82588522
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name2-[3-(3,5-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol
SMILESOCCn1nc(-c2cc(Cl)cc(Cl)c2)c2c1CCNC2
InChIInChI=1S/C14H15Cl2N3O/c15-10-5-9(6-11(16)7-10)14-12-8-17-2-1-13(12)19(18-14)3-4-20/h5-7,17,20H,1-4,8H2
InChIKeyNJMGMZMUOROICU-UHFFFAOYSA-N
XLogP2.49
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol?
The IUPAC name of 2-[3-(3,5-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol (CID 82588522) is 2-[3-(3,5-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol.
What is the SMILES notation for 2-[3-(3,5-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol?
The canonical SMILES for 2-[3-(3,5-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol is OCCn1nc(-c2cc(Cl)cc(Cl)c2)c2c1CCNC2.
What is the InChIKey of 2-[3-(3,5-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol?
The InChIKey is NJMGMZMUOROICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c15-10-5-9(6-11(16)7-10)14-12-8-17-2-1-13(12)19(18-14)3-4-20/h5-7,17,20H,1-4,8H2.
What are the key properties of 2-[3-(3,5-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol?
2-[3-(3,5-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol has a molecular weight of 312.20 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol is sourced from PubChem (CID 82588522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).