3-(4-tert-butylphenyl)-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C21H29N3O — CID 45241472

IUPAC3-(4-tert-butylphenyl)-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(C)(C)c1ccc(-c2n[nH]c3c2CN(CC2CCOC2)CC3)cc1
InChIInChI=1S/C21H29N3O/c1-21(2,3)17-6-4-16(5-7-17)20-18-13-24(10-8-19(18)22-23-20)12-15-9-11-25-14-15/h4-7,15H,8-14H2,1-3H3,(H,22,23)
InChIKeyRZOZSDKEHFTDMN-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.77
Rot. Bonds3

About 3-(4-tert-butylphenyl)-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(4-tert-butylphenyl)-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 45241472) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID45241472
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name3-(4-tert-butylphenyl)-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(C)(C)c1ccc(-c2n[nH]c3c2CN(CC2CCOC2)CC3)cc1
InChIInChI=1S/C21H29N3O/c1-21(2,3)17-6-4-16(5-7-17)20-18-13-24(10-8-19(18)22-23-20)12-15-9-11-25-14-15/h4-7,15H,8-14H2,1-3H3,(H,22,23)
InChIKeyRZOZSDKEHFTDMN-UHFFFAOYSA-N
XLogP3.77
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-tert-butylphenyl)-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[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-(4-tert-butylphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110539351
6-(oxan-3-ylmethyl)-3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine
CID 154569743
3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 117061879
5-methyl-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82585641
oxolan-3-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 45233016
5-[methylsulfonyl(oxiran-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 87207543
3-(4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110539266
5-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 25278288
1-(oxolan-3-ylmethyl)pyrrolidin-3-one
CID 62823822
4-[2-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)ethyl]morpholine
CID 154568126
4-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 124758734
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 91834549

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(4-tert-butylphenyl)-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 45241472) is 3-(4-tert-butylphenyl)-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(4-tert-butylphenyl)-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(4-tert-butylphenyl)-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CC(C)(C)c1ccc(-c2n[nH]c3c2CN(CC2CCOC2)CC3)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is RZOZSDKEHFTDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-21(2,3)17-6-4-16(5-7-17)20-18-13-24(10-8-19(18)22-23-20)12-15-9-11-25-14-15/h4-7,15H,8-14H2,1-3H3,(H,22,23).
What are the key properties of 3-(4-tert-butylphenyl)-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(4-tert-butylphenyl)-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 339.48 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 45241472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).