2-[2-(2-chlorophenyl)-3-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2,3-dihydro-1H-indene-4-carbonitrile

C22H19ClN4 — CID 166845771

IUPAC2-[2-(2-chlorophenyl)-3-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2,3-dihydro-1H-indene-4-carbonitrile
SMILESCc1c2c(nn1-c1ccccc1Cl)CN(C1Cc3cccc(C#N)c3C1)C2
InChIInChI=1S/C22H19ClN4/c1-14-19-12-26(17-9-15-5-4-6-16(11-24)18(15)10-17)13-21(19)25-27(14)22-8-3-2-7-20(22)23/h2-8,17H,9-10,12-13H2,1H3
InChIKeyVKSSYJLMCAEQAB-UHFFFAOYSA-N
MW374.88 g/mol
LogP4.19
Rot. Bonds2

About 2-[2-(2-chlorophenyl)-3-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2,3-dihydro-1H-indene-4-carbonitrile

2-[2-(2-chlorophenyl)-3-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2,3-dihydro-1H-indene-4-carbonitrile (PubChem CID 166845771) has the molecular formula C22H19ClN4 and a molecular weight of 374.88 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-3-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2,3-dihydro-1H-indene-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-3-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2,3-dihydro-1H-indene-4-carbonitrile
PubChem CID166845771
Molecular FormulaC22H19ClN4
Molecular Weight374.88 g/mol
Exact Mass374.13
IUPAC Name2-[2-(2-chlorophenyl)-3-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2,3-dihydro-1H-indene-4-carbonitrile
SMILESCc1c2c(nn1-c1ccccc1Cl)CN(C1Cc3cccc(C#N)c3C1)C2
InChIInChI=1S/C22H19ClN4/c1-14-19-12-26(17-9-15-5-4-6-16(11-24)18(15)10-17)13-21(19)25-27(14)22-8-3-2-7-20(22)23/h2-8,17H,9-10,12-13H2,1H3
InChIKeyVKSSYJLMCAEQAB-UHFFFAOYSA-N
XLogP4.19
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-5-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine
CID 169007860
2-(2-chlorophenyl)-6-ethyl-3-methyl-7-oxopyrazolo[3,4-d]pyridazine-4-carbonitrile
CID 46887373
2-chlorobenzonitrile
CID 139060041
2-(2-chlorophenyl)-5-(4-fluoro-7-isocyano-1-methyl-1,3-dihydroisoindol-2-yl)-3-methyl-4,5,6,7-tetrahydroindazole
CID 169007837
1-(2-chlorophenyl)-5-fluoropyrazole-4-carbonitrile
CID 56956020
4-chloro-1,5-bis(2-chlorophenyl)pyrazole-3-carbonitrile
CID 139674026
2-chlorobenzonitrile;hydron
CID 131860473
2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 55194409
2-(2-chlorophenyl)-1,2,4-triazole-3-carbonitrile
CID 84672776
2-methyl-3-pyrrolidin-1-ylbenzonitrile
CID 90003255
4-[2-(2-chlorophenyl)-4-oxo-5-propan-2-yl-6,7-dihydropyrazolo[4,3-c]pyridin-3-yl]benzonitrile
CID 69157995
1-[1-(2-cyanophenyl)piperidin-4-yl]azetidine-3-carboxamide
CID 22132350

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-3-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2,3-dihydro-1H-indene-4-carbonitrile?
The IUPAC name of 2-[2-(2-chlorophenyl)-3-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2,3-dihydro-1H-indene-4-carbonitrile (CID 166845771) is 2-[2-(2-chlorophenyl)-3-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2,3-dihydro-1H-indene-4-carbonitrile.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-3-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2,3-dihydro-1H-indene-4-carbonitrile?
The canonical SMILES for 2-[2-(2-chlorophenyl)-3-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2,3-dihydro-1H-indene-4-carbonitrile is Cc1c2c(nn1-c1ccccc1Cl)CN(C1Cc3cccc(C#N)c3C1)C2.
What is the InChIKey of 2-[2-(2-chlorophenyl)-3-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2,3-dihydro-1H-indene-4-carbonitrile?
The InChIKey is VKSSYJLMCAEQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4/c1-14-19-12-26(17-9-15-5-4-6-16(11-24)18(15)10-17)13-21(19)25-27(14)22-8-3-2-7-20(22)23/h2-8,17H,9-10,12-13H2,1H3.
What are the key properties of 2-[2-(2-chlorophenyl)-3-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2,3-dihydro-1H-indene-4-carbonitrile?
2-[2-(2-chlorophenyl)-3-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2,3-dihydro-1H-indene-4-carbonitrile has a molecular weight of 374.88 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-3-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2,3-dihydro-1H-indene-4-carbonitrile is sourced from PubChem (CID 166845771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).