3-(2-chloro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

C14H16ClN3O2 — CID 110538918

IUPAC3-(2-chloro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCOc1ccc(-c2n[nH]c3c2CNCC3)c(Cl)c1OC
InChIInChI=1S/C14H16ClN3O2/c1-19-11-4-3-8(12(15)14(11)20-2)13-9-7-16-6-5-10(9)17-18-13/h3-4,16H,5-7H2,1-2H3,(H,17,18)
InChIKeyNBOYZOWOQUZUMA-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.39
Rot. Bonds3

About 3-(2-chloro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

3-(2-chloro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 110538918) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 3-(2-chloro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(2-chloro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID110538918
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name3-(2-chloro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCOc1ccc(-c2n[nH]c3c2CNCC3)c(Cl)c1OC
InChIInChI=1S/C14H16ClN3O2/c1-19-11-4-3-8(12(15)14(11)20-2)13-9-7-16-6-5-10(9)17-18-13/h3-4,16H,5-7H2,1-2H3,(H,17,18)
InChIKeyNBOYZOWOQUZUMA-UHFFFAOYSA-N
XLogP2.39
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloro-3,4-dimethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110537527
3-(3-bromo-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110538216
3-(2-methoxy-5-methylphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
CID 83850261
3-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 82301056
3-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 82588751
3-(2-bromo-3,4-dimethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110535708
3-[2-[(4-methylphenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110537634
3-(3,5-dichloro-4-propoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110537326
3-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 57140925
3-(2,4-diethoxy-5-nitrophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110536982
3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110535854
4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 58373723

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(2-chloro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 110538918) is 3-(2-chloro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(2-chloro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(2-chloro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is COc1ccc(-c2n[nH]c3c2CNCC3)c(Cl)c1OC.
What is the InChIKey of 3-(2-chloro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is NBOYZOWOQUZUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-19-11-4-3-8(12(15)14(11)20-2)13-9-7-16-6-5-10(9)17-18-13/h3-4,16H,5-7H2,1-2H3,(H,17,18).
What are the key properties of 3-(2-chloro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
3-(2-chloro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 293.75 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110538918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).