3-(1-ethylpiperidin-4-yl)-1-(4-phenylmethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

C25H30N4O — CID 4268813

IUPAC3-(1-ethylpiperidin-4-yl)-1-(4-phenylmethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCN1CCC(c2nn(-c3ccc(OCc4ccccc4)cc3)c3c2CCN3)CC1
InChIInChI=1S/C25H30N4O/c1-2-28-16-13-20(14-17-28)24-23-12-15-26-25(23)29(27-24)21-8-10-22(11-9-21)30-18-19-6-4-3-5-7-19/h3-11,20,26H,2,12-18H2,1H3
InChIKeyJVENIBKWXJYBQW-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.62
Rot. Bonds6

About 3-(1-ethylpiperidin-4-yl)-1-(4-phenylmethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

3-(1-ethylpiperidin-4-yl)-1-(4-phenylmethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 4268813) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)-1-(4-phenylmethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)-1-(4-phenylmethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID4268813
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name3-(1-ethylpiperidin-4-yl)-1-(4-phenylmethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCN1CCC(c2nn(-c3ccc(OCc4ccccc4)cc3)c3c2CCN3)CC1
InChIInChI=1S/C25H30N4O/c1-2-28-16-13-20(14-17-28)24-23-12-15-26-25(23)29(27-24)21-8-10-22(11-9-21)30-18-19-6-4-3-5-7-19/h3-11,20,26H,2,12-18H2,1H3
InChIKeyJVENIBKWXJYBQW-UHFFFAOYSA-N
XLogP4.62
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-ethylpiperidin-4-yl)-1-(4-phenylmethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole 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

1-(4-chlorophenyl)-3-(1-ethylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4018339
3-(1-benzylpiperidin-4-yl)-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 5029409
3-(1-ethylpiperidin-4-yl)-1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4998015
3-cyclohexyl-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3574521
3-(3-methoxyphenyl)-1-(4-phenylmethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3574526
3-(2,4-difluorophenyl)-1-(4-phenylmethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3327882
3-(1-benzylpiperidin-4-yl)-1-(3-chloro-2-methylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4268494
3-[(2,4-dichlorophenyl)methyl]-1-(4-phenylmethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4566440
3-cyclobutyl-1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 5027690
3-cyclohexyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4017946
3-(4-methylthiophen-2-yl)-1-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3284362
1-(4-bromophenyl)-3-cyclobutyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3562750

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)-1-(4-phenylmethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)-1-(4-phenylmethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 4268813) is 3-(1-ethylpiperidin-4-yl)-1-(4-phenylmethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)-1-(4-phenylmethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)-1-(4-phenylmethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is CCN1CCC(c2nn(-c3ccc(OCc4ccccc4)cc3)c3c2CCN3)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)-1-(4-phenylmethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is JVENIBKWXJYBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-2-28-16-13-20(14-17-28)24-23-12-15-26-25(23)29(27-24)21-8-10-22(11-9-21)30-18-19-6-4-3-5-7-19/h3-11,20,26H,2,12-18H2,1H3.
What are the key properties of 3-(1-ethylpiperidin-4-yl)-1-(4-phenylmethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
3-(1-ethylpiperidin-4-yl)-1-(4-phenylmethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 402.54 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)-1-(4-phenylmethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 4268813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).