2-[5-[(4-chlorophenyl)methyl]-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-2-yl]ethanol

C15H20ClN3O — CID 141302993

IUPAC2-[5-[(4-chlorophenyl)methyl]-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-2-yl]ethanol
SMILESOCCN1CC2=C(CCN(Cc3ccc(Cl)cc3)C2)N1
InChIInChI=1S/C15H20ClN3O/c16-14-3-1-12(2-4-14)9-18-6-5-15-13(10-18)11-19(17-15)7-8-20/h1-4,17,20H,5-11H2
InChIKeyDKQKGYSXLVOJLE-UHFFFAOYSA-N
MW293.80 g/mol
LogP1.61
Rot. Bonds4

About 2-[5-[(4-chlorophenyl)methyl]-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-2-yl]ethanol

2-[5-[(4-chlorophenyl)methyl]-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-2-yl]ethanol (PubChem CID 141302993) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-[5-[(4-chlorophenyl)methyl]-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(4-chlorophenyl)methyl]-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-2-yl]ethanol
PubChem CID141302993
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-[5-[(4-chlorophenyl)methyl]-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-2-yl]ethanol
SMILESOCCN1CC2=C(CCN(Cc3ccc(Cl)cc3)C2)N1
InChIInChI=1S/C15H20ClN3O/c16-14-3-1-12(2-4-14)9-18-6-5-15-13(10-18)11-19(17-15)7-8-20/h1-4,17,20H,5-11H2
InChIKeyDKQKGYSXLVOJLE-UHFFFAOYSA-N
XLogP1.61
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-[(4-chlorophenyl)methyl]-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-2-yl]ethanol with MolForge

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Related Compounds

2-[6-[(3-chlorophenyl)methyl]-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-2-yl]ethanol
CID 141302992
5-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 141302994
(3E)-1-[(4-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylidene]pyrrolidine
CID 177393308
2-benzyl-6-[(6-chloro-3-pyridinyl)methyl]-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
CID 141302991
2-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol
CID 754265
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
6-bromo-2-[(4-chlorophenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 71676847
1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride
CID 21275288
2-benzyl-6-[(4-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67375523
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 780027

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-chlorophenyl)methyl]-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-2-yl]ethanol?
The IUPAC name of 2-[5-[(4-chlorophenyl)methyl]-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-2-yl]ethanol (CID 141302993) is 2-[5-[(4-chlorophenyl)methyl]-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-2-yl]ethanol.
What is the SMILES notation for 2-[5-[(4-chlorophenyl)methyl]-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-2-yl]ethanol?
The canonical SMILES for 2-[5-[(4-chlorophenyl)methyl]-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-2-yl]ethanol is OCCN1CC2=C(CCN(Cc3ccc(Cl)cc3)C2)N1.
What is the InChIKey of 2-[5-[(4-chlorophenyl)methyl]-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-2-yl]ethanol?
The InChIKey is DKQKGYSXLVOJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c16-14-3-1-12(2-4-14)9-18-6-5-15-13(10-18)11-19(17-15)7-8-20/h1-4,17,20H,5-11H2.
What are the key properties of 2-[5-[(4-chlorophenyl)methyl]-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-2-yl]ethanol?
2-[5-[(4-chlorophenyl)methyl]-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-2-yl]ethanol has a molecular weight of 293.80 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-chlorophenyl)methyl]-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-2-yl]ethanol is sourced from PubChem (CID 141302993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).