4-(3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridin-3-yl)-2-ethoxyphenol

C14H19N3O2 — CID 110539997

IUPAC4-(3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridin-3-yl)-2-ethoxyphenol
SMILESCCOc1cc(C2NN=C3CCNCC32)ccc1O
InChIInChI=1S/C14H19N3O2/c1-2-19-13-7-9(3-4-12(13)18)14-10-8-15-6-5-11(10)16-17-14/h3-4,7,10,14-15,17-18H,2,5-6,8H2,1H3
InChIKeyQVAMGGVWKRUZEZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.40
Rot. Bonds3

About 4-(3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridin-3-yl)-2-ethoxyphenol

4-(3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridin-3-yl)-2-ethoxyphenol (PubChem CID 110539997) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridin-3-yl)-2-ethoxyphenol.

Molecular Properties

Compound Name4-(3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridin-3-yl)-2-ethoxyphenol
PubChem CID110539997
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-(3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridin-3-yl)-2-ethoxyphenol
SMILESCCOc1cc(C2NN=C3CCNCC32)ccc1O
InChIInChI=1S/C14H19N3O2/c1-2-19-13-7-9(3-4-12(13)18)14-10-8-15-6-5-11(10)16-17-14/h3-4,7,10,14-15,17-18H,2,5-6,8H2,1H3
InChIKeyQVAMGGVWKRUZEZ-UHFFFAOYSA-N
XLogP1.40
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridin-3-yl)-2-ethoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methoxy-4-propoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
CID 110539094
3-(4-hexoxy-3-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
CID 110537027
3-(4-ethoxy-3-methoxy-5-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
CID 110537589
4-[(2R)-azetidin-2-yl]-2-ethoxyphenol
CID 131080980
3-(3-ethoxy-4-methoxyphenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110538410
3-(4-ethoxy-3-methoxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110537733
3-(2,4,5-trimethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
CID 110539018
3-[3-[(4-chlorophenyl)methoxy]phenyl]-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
CID 110536407
4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-2-methoxyphenol
CID 672690
(4S)-4-(3-ethoxy-4-hydroxyphenyl)imidazolidin-2-one
CID 131349347
2-bromo-4-(5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridin-3-yl)phenol
CID 110537412
3-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxy-5-nitrophenyl]-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
CID 110531843

Frequently Asked Questions

What is the IUPAC name of 4-(3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridin-3-yl)-2-ethoxyphenol?
The IUPAC name of 4-(3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridin-3-yl)-2-ethoxyphenol (CID 110539997) is 4-(3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridin-3-yl)-2-ethoxyphenol.
What is the SMILES notation for 4-(3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridin-3-yl)-2-ethoxyphenol?
The canonical SMILES for 4-(3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridin-3-yl)-2-ethoxyphenol is CCOc1cc(C2NN=C3CCNCC32)ccc1O.
What is the InChIKey of 4-(3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridin-3-yl)-2-ethoxyphenol?
The InChIKey is QVAMGGVWKRUZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-19-13-7-9(3-4-12(13)18)14-10-8-15-6-5-11(10)16-17-14/h3-4,7,10,14-15,17-18H,2,5-6,8H2,1H3.
What are the key properties of 4-(3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridin-3-yl)-2-ethoxyphenol?
4-(3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridin-3-yl)-2-ethoxyphenol has a molecular weight of 261.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridin-3-yl)-2-ethoxyphenol is sourced from PubChem (CID 110539997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).