3-(3-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine

C18H27N3O — CID 110538506

IUPAC3-(3-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
SMILESCCCN1CCC2=NNC(c3cccc(OC(C)C)c3)C2C1
InChIInChI=1S/C18H27N3O/c1-4-9-21-10-8-17-16(12-21)18(20-19-17)14-6-5-7-15(11-14)22-13(2)3/h5-7,11,13,16,18,20H,4,8-10,12H2,1-3H3
InChIKeyGPQFUWBISPSFHO-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.21
Rot. Bonds5

About 3-(3-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine

3-(3-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine (PubChem CID 110538506) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-(3-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
PubChem CID110538506
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name3-(3-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
SMILESCCCN1CCC2=NNC(c3cccc(OC(C)C)c3)C2C1
InChIInChI=1S/C18H27N3O/c1-4-9-21-10-8-17-16(12-21)18(20-19-17)14-6-5-7-15(11-14)22-13(2)3/h5-7,11,13,16,18,20H,4,8-10,12H2,1-3H3
InChIKeyGPQFUWBISPSFHO-UHFFFAOYSA-N
XLogP3.21
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine 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-(3,5-dichloro-4-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110534342
3-(3-nitrophenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110539146
3-(3-chlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110539933
3-(3,5-dichloro-4-propan-2-yloxyphenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110535383
4-(3-propan-2-yloxyphenyl)-1-propylpiperidine
CID 71653291
3-(3-methoxy-4-pentoxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110535156
2-nitro-4-(5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridin-3-yl)phenol
CID 110538374
3-(3,5-dichloro-4-propan-2-yloxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110536371
3-(3-propan-2-yloxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110538604
3-(2,4-dimethoxyphenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110539102
3-(3-chloro-4-phenylmethoxyphenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110534365
3-(3-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
CID 110540532

Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine (CID 110538506) is 3-(3-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine is CCCN1CCC2=NNC(c3cccc(OC(C)C)c3)C2C1.
What is the InChIKey of 3-(3-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The InChIKey is GPQFUWBISPSFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-4-9-21-10-8-17-16(12-21)18(20-19-17)14-6-5-7-15(11-14)22-13(2)3/h5-7,11,13,16,18,20H,4,8-10,12H2,1-3H3.
What are the key properties of 3-(3-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
3-(3-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine has a molecular weight of 301.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110538506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).