1-cycloheptyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile

C14H19N3 — CID 105487277

IUPAC1-cycloheptyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile
SMILESN#Cc1nn(C2CCCCCC2)c2c1CCC2
InChIInChI=1S/C14H19N3/c15-10-13-12-8-5-9-14(12)17(16-13)11-6-3-1-2-4-7-11/h11H,1-9H2
InChIKeyGQPRPSUVTRDVHJ-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.14
Rot. Bonds1

About 1-cycloheptyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile

1-cycloheptyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile (PubChem CID 105487277) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-cycloheptyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-cycloheptyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile
PubChem CID105487277
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-cycloheptyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile
SMILESN#Cc1nn(C2CCCCCC2)c2c1CCC2
InChIInChI=1S/C14H19N3/c15-10-13-12-8-5-9-14(12)17(16-13)11-6-3-1-2-4-7-11/h11H,1-9H2
InChIKeyGQPRPSUVTRDVHJ-UHFFFAOYSA-N
XLogP3.14
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile
CID 105493457
1-cyclopropyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile
CID 105499027
1-cyclobutyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile
CID 105499028
1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 141172641
1-(1-bicyclo[1.1.0]butanyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile
CID 145349924
2-cycloheptyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
CID 105489761
1-cycloheptyl-1,2,4-triazole-3-carbonitrile
CID 82924529
1-cyclopropyl-3-methyl-4,5,6,7-tetrahydroindazole
CID 137437585
1-cycloheptyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 105495321
1-cycloheptylimidazole-4,5-dicarbonitrile
CID 112595680
1-cyclohexyl-4,6-dihydrofuro[3,4-d]pyrazol-3-amine
CID 105460780
2-cyclopentyl-3,5-dioxo-4-propyl-1,2,4-triazine-6-carbonitrile
CID 46881995

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile?
The IUPAC name of 1-cycloheptyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile (CID 105487277) is 1-cycloheptyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile.
What is the SMILES notation for 1-cycloheptyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile?
The canonical SMILES for 1-cycloheptyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile is N#Cc1nn(C2CCCCCC2)c2c1CCC2.
What is the InChIKey of 1-cycloheptyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile?
The InChIKey is GQPRPSUVTRDVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c15-10-13-12-8-5-9-14(12)17(16-13)11-6-3-1-2-4-7-11/h11H,1-9H2.
What are the key properties of 1-cycloheptyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile?
1-cycloheptyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile is sourced from PubChem (CID 105487277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).