3-(2-chloro-3,4-dimethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C16H20ClN3O2 — CID 110537527

IUPAC3-(2-chloro-3,4-dimethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCN1CCc2[nH]nc(-c3ccc(OC)c(OC)c3Cl)c2C1
InChIInChI=1S/C16H20ClN3O2/c1-4-20-8-7-12-11(9-20)15(19-18-12)10-5-6-13(21-2)16(22-3)14(10)17/h5-6H,4,7-9H2,1-3H3,(H,18,19)
InChIKeyUFDQIWKFSOPWFC-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.13
Rot. Bonds4

About 3-(2-chloro-3,4-dimethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(2-chloro-3,4-dimethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 110537527) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 3-(2-chloro-3,4-dimethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(2-chloro-3,4-dimethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID110537527
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name3-(2-chloro-3,4-dimethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCN1CCc2[nH]nc(-c3ccc(OC)c(OC)c3Cl)c2C1
InChIInChI=1S/C16H20ClN3O2/c1-4-20-8-7-12-11(9-20)15(19-18-12)10-5-6-13(21-2)16(22-3)14(10)17/h5-6H,4,7-9H2,1-3H3,(H,18,19)
InChIKeyUFDQIWKFSOPWFC-UHFFFAOYSA-N
XLogP3.13
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110538918
5-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-methoxyphenol
CID 110539705
3-(2-bromo-3,4-dimethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110535708
3-(3,5-dichloro-4-methoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536510
3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110530271
3-(4-bromophenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110538299
3-(3-chloro-4-phenylmethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110534516
3-(4-tert-butylphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110539351
3-(3-ethoxy-4-propoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110537126
5-benzyl-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110532576
5-benzyl-3-(2,3-dichlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110535258
3-(3-methoxy-2-phenylmethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110535893

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3,4-dimethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(2-chloro-3,4-dimethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 110537527) is 3-(2-chloro-3,4-dimethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(2-chloro-3,4-dimethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(2-chloro-3,4-dimethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCN1CCc2[nH]nc(-c3ccc(OC)c(OC)c3Cl)c2C1.
What is the InChIKey of 3-(2-chloro-3,4-dimethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is UFDQIWKFSOPWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-4-20-8-7-12-11(9-20)15(19-18-12)10-5-6-13(21-2)16(22-3)14(10)17/h5-6H,4,7-9H2,1-3H3,(H,18,19).
What are the key properties of 3-(2-chloro-3,4-dimethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(2-chloro-3,4-dimethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 321.81 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3,4-dimethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110537527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).