2-(3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzonitrile

C14H13N3 — CID 105480725

IUPAC2-(3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzonitrile
SMILESCc1nn(-c2ccccc2C#N)c2c1CCC2
InChIInChI=1S/C14H13N3/c1-10-12-6-4-8-14(12)17(16-10)13-7-3-2-5-11(13)9-15/h2-3,5,7H,4,6,8H2,1H3
InChIKeyIUFRVXBVLWBWNV-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.54
Rot. Bonds1

About 2-(3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzonitrile

2-(3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzonitrile (PubChem CID 105480725) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzonitrile.

Molecular Properties

Compound Name2-(3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzonitrile
PubChem CID105480725
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name2-(3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzonitrile
SMILESCc1nn(-c2ccccc2C#N)c2c1CCC2
InChIInChI=1S/C14H13N3/c1-10-12-6-4-8-14(12)17(16-10)13-7-3-2-5-11(13)9-15/h2-3,5,7H,4,6,8H2,1H3
InChIKeyIUFRVXBVLWBWNV-UHFFFAOYSA-N
XLogP2.54
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)benzonitrile
CID 105481974
2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)phenol
CID 105485759
2-[3-(azetidin-1-yl)-5-methylpyrazol-1-yl]benzonitrile
CID 175746629
1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde
CID 83863008
1-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-4-carbonitrile
CID 49061217
2-(2,6-dimethylpiperidin-1-yl)benzonitrile
CID 43826004
2-[3-(2-cyanophenyl)-2H-imidazol-1-yl]benzonitrile
CID 123145775
1-(2-bromo-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
CID 102943027
2,5-dihydropyrrol-1-yl-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 126827969
2-(2,5-dihydropyrrol-1-yl)benzonitrile
CID 55265767
ethane;2-(4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzonitrile
CID 91278482
2-(3-methyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl)aniline
CID 105486767

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzonitrile?
The IUPAC name of 2-(3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzonitrile (CID 105480725) is 2-(3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzonitrile.
What is the SMILES notation for 2-(3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzonitrile?
The canonical SMILES for 2-(3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzonitrile is Cc1nn(-c2ccccc2C#N)c2c1CCC2.
What is the InChIKey of 2-(3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzonitrile?
The InChIKey is IUFRVXBVLWBWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10-12-6-4-8-14(12)17(16-10)13-7-3-2-5-11(13)9-15/h2-3,5,7H,4,6,8H2,1H3.
What are the key properties of 2-(3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzonitrile?
2-(3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzonitrile has a molecular weight of 223.28 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzonitrile is sourced from PubChem (CID 105480725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).