2-[3-(2-chlorophenyl)-4H-indeno[2,1-d]pyrazol-1-yl]acetonitrile

C18H12ClN3 — CID 11837283

IUPAC2-[3-(2-chlorophenyl)-4H-indeno[2,1-d]pyrazol-1-yl]acetonitrile
SMILESN#CCn1nc(-c2ccccc2Cl)c2c1-c1ccccc1C2
InChIInChI=1S/C18H12ClN3/c19-16-8-4-3-7-14(16)17-15-11-12-5-1-2-6-13(12)18(15)22(21-17)10-9-20/h1-8H,10-11H2
InChIKeyDWOIFDXFGPICEI-UHFFFAOYSA-N
MW305.77 g/mol
LogP4.30
Rot. Bonds2

About 2-[3-(2-chlorophenyl)-4H-indeno[2,1-d]pyrazol-1-yl]acetonitrile

2-[3-(2-chlorophenyl)-4H-indeno[2,1-d]pyrazol-1-yl]acetonitrile (PubChem CID 11837283) has the molecular formula C18H12ClN3 and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)-4H-indeno[2,1-d]pyrazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)-4H-indeno[2,1-d]pyrazol-1-yl]acetonitrile
PubChem CID11837283
Molecular FormulaC18H12ClN3
Molecular Weight305.77 g/mol
Exact Mass305.07
IUPAC Name2-[3-(2-chlorophenyl)-4H-indeno[2,1-d]pyrazol-1-yl]acetonitrile
SMILESN#CCn1nc(-c2ccccc2Cl)c2c1-c1ccccc1C2
InChIInChI=1S/C18H12ClN3/c19-16-8-4-3-7-14(16)17-15-11-12-5-1-2-6-13(12)18(15)22(21-17)10-9-20/h1-8H,10-11H2
InChIKeyDWOIFDXFGPICEI-UHFFFAOYSA-N
XLogP4.30
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2-chlorophenyl)-1,2,4-triazol-1-yl]acetonitrile
CID 56786488
5-(2-chlorophenyl)-1-(cyanomethyl)triazole-4-carbonitrile
CID 82206523
5,6-bis(2-chlorophenyl)pyrazine-2,3-dicarbonitrile
CID 132588447
4-(2-chlorophenyl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile
CID 2816368
5-(2-chlorophenyl)-2H-triazole-4-carbonitrile
CID 82377911
2-(carboxymethyl)-3-oxo-5H-indeno[1,2-c]pyridazine-4-carboxylic acid
CID 10541174
2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-8-ol
CID 155529964
4-chloro-2-methyl-5H-indeno[1,2-b]pyridine
CID 10512877
2-[(2,6-dichlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one
CID 3782055
2-[2-(2-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile
CID 39157949
3-(9H-fluoren-1-yl)benzene-1,2-dicarbonitrile
CID 141495090
3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole
CID 123288377

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)-4H-indeno[2,1-d]pyrazol-1-yl]acetonitrile?
The IUPAC name of 2-[3-(2-chlorophenyl)-4H-indeno[2,1-d]pyrazol-1-yl]acetonitrile (CID 11837283) is 2-[3-(2-chlorophenyl)-4H-indeno[2,1-d]pyrazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[3-(2-chlorophenyl)-4H-indeno[2,1-d]pyrazol-1-yl]acetonitrile?
The canonical SMILES for 2-[3-(2-chlorophenyl)-4H-indeno[2,1-d]pyrazol-1-yl]acetonitrile is N#CCn1nc(-c2ccccc2Cl)c2c1-c1ccccc1C2.
What is the InChIKey of 2-[3-(2-chlorophenyl)-4H-indeno[2,1-d]pyrazol-1-yl]acetonitrile?
The InChIKey is DWOIFDXFGPICEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3/c19-16-8-4-3-7-14(16)17-15-11-12-5-1-2-6-13(12)18(15)22(21-17)10-9-20/h1-8H,10-11H2.
What are the key properties of 2-[3-(2-chlorophenyl)-4H-indeno[2,1-d]pyrazol-1-yl]acetonitrile?
2-[3-(2-chlorophenyl)-4H-indeno[2,1-d]pyrazol-1-yl]acetonitrile has a molecular weight of 305.77 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)-4H-indeno[2,1-d]pyrazol-1-yl]acetonitrile is sourced from PubChem (CID 11837283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).