1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile

C10H11F2N3 — CID 84734500

IUPAC1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CCC(F)(F)CC2)c1
InChIInChI=1S/C10H11F2N3/c11-10(12)3-1-9(2-4-10)15-7-8(5-13)6-14-15/h6-7,9H,1-4H2
InChIKeyAYHRVVSRHVAWGA-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.51
Rot. Bonds1

About 1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile

1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile (PubChem CID 84734500) has the molecular formula C10H11F2N3 and a molecular weight of 211.21 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile
PubChem CID84734500
Molecular FormulaC10H11F2N3
Molecular Weight211.21 g/mol
Exact Mass211.09
IUPAC Name1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CCC(F)(F)CC2)c1
InChIInChI=1S/C10H11F2N3/c11-10(12)3-1-9(2-4-10)15-7-8(5-13)6-14-15/h6-7,9H,1-4H2
InChIKeyAYHRVVSRHVAWGA-UHFFFAOYSA-N
XLogP2.51
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4,4-difluorocyclohexyl)pyrazole-4-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

4-(4-(trifluoromethyl)-1H-pyrazol-1-yl)piperidine hydrochloride
CID 86775176
1-Cyclopentyl-1h-pyrazole-4-carbonitrile
CID 83814234
1-[(4,4-Difluorocyclohexyl)methyl]pyrazole-4-carbonitrile
CID 126790427
5,5,5-Trifluoro-2-isocyano-2-[(4-methylpyrazol-1-yl)methyl]pentanenitrile
CID 57712384
5,5,5-Trifluoro-2-isocyano-2-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]pentanenitrile
CID 57712428
Piperidine, 4-[4-(trifluoromethyl)-1H-pyrazol-1-yl]-
CID 64177910
2-[4-(Trifluoromethyl)pyrazol-1-yl]acetonitrile
CID 64179089
1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carbonitrile
CID 66509392
1-(difluoromethyl)-1H-pyrazole-4-carbonitrile
CID 66509622
1-Tert-butyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 71225785
1-(2-Fluorocyclohexyl)-4-methylpyrazole
CID 84732461
1-(4,4-Difluorocyclohexyl)pyrazole
CID 84732782

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile?
The IUPAC name of 1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile (CID 84734500) is 1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile is N#Cc1cnn(C2CCC(F)(F)CC2)c1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile?
The InChIKey is AYHRVVSRHVAWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3/c11-10(12)3-1-9(2-4-10)15-7-8(5-13)6-14-15/h6-7,9H,1-4H2.
What are the key properties of 1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile?
1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile has a molecular weight of 211.21 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 84734500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).