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

C19H26N4 — CID 3904451

IUPAC1-(2,4-dimethylphenyl)-3-(1-methylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCc1ccc(-n2nc(C3CCCCN3C)c3c2NCC3)c(C)c1
InChIInChI=1S/C19H26N4/c1-13-7-8-16(14(2)12-13)23-19-15(9-10-20-19)18(21-23)17-6-4-5-11-22(17)3/h7-8,12,17,20H,4-6,9-11H2,1-3H3
InChIKeyBZHLQMDJGJHITG-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.61
Rot. Bonds2

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

1-(2,4-dimethylphenyl)-3-(1-methylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 3904451) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(1-methylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(1-methylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID3904451
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name1-(2,4-dimethylphenyl)-3-(1-methylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCc1ccc(-n2nc(C3CCCCN3C)c3c2NCC3)c(C)c1
InChIInChI=1S/C19H26N4/c1-13-7-8-16(14(2)12-13)23-19-15(9-10-20-19)18(21-23)17-6-4-5-11-22(17)3/h7-8,12,17,20H,4-6,9-11H2,1-3H3
InChIKeyBZHLQMDJGJHITG-UHFFFAOYSA-N
XLogP3.61
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-3-(1-methylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4301757
3-cyclobutyl-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4271431
1-(4-chloro-2-methylphenyl)-3-(1-ethylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 5173174
1-(2,5-dichlorophenyl)-3-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 4545737
1-(2-ethylphenyl)-3-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 4235028
3-(1-methylpiperidin-2-yl)-1-(2-nitrophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3970590
1-methyl-3-(1-methylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4669426
3-(1-benzylpiperidin-2-yl)-1-(2,5-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3552578
1-(4-iodophenyl)-3-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 4675623
1-(2-methylphenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3985369
1-(2,4-dimethylphenyl)-3-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4266960
3-(2-bromophenyl)-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4296912

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(1-methylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(1-methylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 3904451) is 1-(2,4-dimethylphenyl)-3-(1-methylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(1-methylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(1-methylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is Cc1ccc(-n2nc(C3CCCCN3C)c3c2NCC3)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(1-methylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is BZHLQMDJGJHITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-13-7-8-16(14(2)12-13)23-19-15(9-10-20-19)18(21-23)17-6-4-5-11-22(17)3/h7-8,12,17,20H,4-6,9-11H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3-(1-methylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
1-(2,4-dimethylphenyl)-3-(1-methylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 310.44 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(1-methylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 3904451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).