2-(oxan-4-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile

C12H15N3O — CID 105471198

IUPAC2-(oxan-4-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile
SMILESN#Cc1c2c(nn1C1CCOCC1)CCC2
InChIInChI=1S/C12H15N3O/c13-8-12-10-2-1-3-11(10)14-15(12)9-4-6-16-7-5-9/h9H,1-7H2
InChIKeyCWCSDWTZQJJVSZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.59
Rot. Bonds1

About 2-(oxan-4-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile

2-(oxan-4-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile (PubChem CID 105471198) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(oxan-4-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name2-(oxan-4-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile
PubChem CID105471198
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(oxan-4-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile
SMILESN#Cc1c2c(nn1C1CCOCC1)CCC2
InChIInChI=1S/C12H15N3O/c13-8-12-10-2-1-3-11(10)14-15(12)9-4-6-16-7-5-9/h9H,1-7H2
InChIKeyCWCSDWTZQJJVSZ-UHFFFAOYSA-N
XLogP1.59
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(oxan-4-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclobutyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
CID 105443534
2-cycloheptyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
CID 105489761
2-piperidin-4-yl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
CID 105472552
2-cyclopropyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbonitrile
CID 105457821
2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 105479436
2-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carbonitrile
CID 105489962
2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde
CID 105496416
2-(oxan-4-yl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbaldehyde
CID 105497694
2-(oxan-4-yl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-amine
CID 105480663
[1-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine
CID 105496814
1-cycloheptyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile
CID 105487277
(2-cycloheptyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanamine
CID 105493701

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile?
The IUPAC name of 2-(oxan-4-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile (CID 105471198) is 2-(oxan-4-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile.
What is the SMILES notation for 2-(oxan-4-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile?
The canonical SMILES for 2-(oxan-4-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile is N#Cc1c2c(nn1C1CCOCC1)CCC2.
What is the InChIKey of 2-(oxan-4-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile?
The InChIKey is CWCSDWTZQJJVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-8-12-10-2-1-3-11(10)14-15(12)9-4-6-16-7-5-9/h9H,1-7H2.
What are the key properties of 2-(oxan-4-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile?
2-(oxan-4-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile is sourced from PubChem (CID 105471198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).