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

C18H24N4 — CID 3985369

IUPAC1-(2-methylphenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCc1ccccc1-n1nc(C2CCN(C)CC2)c2c1NCC2
InChIInChI=1S/C18H24N4/c1-13-5-3-4-6-16(13)22-18-15(7-10-19-18)17(20-22)14-8-11-21(2)12-9-14/h3-6,14,19H,7-12H2,1-2H3
InChIKeyRZIHQGVKSWCUAI-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.96
Rot. Bonds2

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

1-(2-methylphenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 3985369) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID3985369
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name1-(2-methylphenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCc1ccccc1-n1nc(C2CCN(C)CC2)c2c1NCC2
InChIInChI=1S/C18H24N4/c1-13-5-3-4-6-16(13)22-18-15(7-10-19-18)17(20-22)14-8-11-21(2)12-9-14/h3-6,14,19H,7-12H2,1-2H3
InChIKeyRZIHQGVKSWCUAI-UHFFFAOYSA-N
XLogP2.96
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4998014
1-(2-ethylphenyl)-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3897169
3-(1-methylpiperidin-4-yl)-1-(2-propan-2-ylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3981333
1-(3-chloro-2-methylphenyl)-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 4241521
3-(1-ethylpiperidin-4-yl)-1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4998015
3-cyclobutyl-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4271431
1-(2-fluorophenyl)-3-(1-methylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4998018
3-cyclohexyl-1-(2-ethylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3338910
3-(1-benzylpiperidin-4-yl)-1-(3-chloro-2-methylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4268494
1-(3-chloro-2-methylphenyl)-3-cyclohexyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3943504
3-cyclohexyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4017946
1-(2-methylphenyl)-3-(methylsulfanylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3561251

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 1-(2-methylphenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 3985369) is 1-(2-methylphenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 1-(2-methylphenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 1-(2-methylphenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is Cc1ccccc1-n1nc(C2CCN(C)CC2)c2c1NCC2.
What is the InChIKey of 1-(2-methylphenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is RZIHQGVKSWCUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-13-5-3-4-6-16(13)22-18-15(7-10-19-18)17(20-22)14-8-11-21(2)12-9-14/h3-6,14,19H,7-12H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
1-(2-methylphenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 296.42 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 3985369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).