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

C14H17N3O2 — CID 82301056

IUPAC3-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCOc1cc(OC)cc(-c2n[nH]c3c2CNCC3)c1
InChIInChI=1S/C14H17N3O2/c1-18-10-5-9(6-11(7-10)19-2)14-12-8-15-4-3-13(12)16-17-14/h5-7,15H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyQNPLTDZUVJOCHN-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.74
Rot. Bonds3

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

3-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 82301056) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID82301056
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCOc1cc(OC)cc(-c2n[nH]c3c2CNCC3)c1
InChIInChI=1S/C14H17N3O2/c1-18-10-5-9(6-11(7-10)19-2)14-12-8-15-4-3-13(12)16-17-14/h5-7,15H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyQNPLTDZUVJOCHN-UHFFFAOYSA-N
XLogP1.74
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110538216
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-chloro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110538918
4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)benzoic acid
CID 110540362
2-nitro-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenol
CID 136822369
3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110535854
3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169498783
3-(3,5-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106519195
5-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-1,3-oxazole
CID 130950606
3-(2,4-diethoxy-5-nitrophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110536982
3-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 82588751

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 82301056) is 3-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is COc1cc(OC)cc(-c2n[nH]c3c2CNCC3)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is QNPLTDZUVJOCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-10-5-9(6-11(7-10)19-2)14-12-8-15-4-3-13(12)16-17-14/h5-7,15H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of 3-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
3-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 259.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 82301056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).