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

C10H12F2N4 — CID 141223530

IUPAC3-amino-1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile
SMILESN#Cc1cn(C2CCC(F)(F)CC2)nc1N
InChIInChI=1S/C10H12F2N4/c11-10(12)3-1-8(2-4-10)16-6-7(5-13)9(14)15-16/h6,8H,1-4H2,(H2,14,15)
InChIKeyUBWILBXDVZEHGQ-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.09
Rot. Bonds1

About 3-amino-1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile

3-amino-1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile (PubChem CID 141223530) has the molecular formula C10H12F2N4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-amino-1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile
PubChem CID141223530
Molecular FormulaC10H12F2N4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3-amino-1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile
SMILESN#Cc1cn(C2CCC(F)(F)CC2)nc1N
InChIInChI=1S/C10H12F2N4/c11-10(12)3-1-8(2-4-10)16-6-7(5-13)9(14)15-16/h6,8H,1-4H2,(H2,14,15)
InChIKeyUBWILBXDVZEHGQ-UHFFFAOYSA-N
XLogP2.09
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-1-(propan-2-yl)-1H-pyrazole-4-carbonitrile
CID 276228
5-amino-1-(cyclohexylmethyl)-1H-pyrazole-4-carbonitrile
CID 684453
1-cyclohexyl-4-methyl-1H-pyrazol-3-amine
CID 62678120
5-Amino-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carbonitrile
CID 53418333
5-Amino-1-(4,4-difluorocyclohexyl)-1h-pyrazole-4-carbonitrile
CID 58416683
5-Amino-1-(4-fluorocyclohexyl)pyrazole-4-carbonitrile
CID 69747001
1-Pentyl-4-(trifluoromethyl)pyrazol-5-amine
CID 70407205
1-(4,4-Difluorocyclohexyl)pyrazole-4-carbonitrile
CID 84734500
3-amino-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carbonitrile
CID 130654890
1-(4,4-Difluorocyclohexyl)-4,7-dihydropyrazolo[5,4-d]pyrimidine
CID 137100393
1-(4,4-Difluorocyclohexyl)pyrazol-3-amine
CID 156566013
5-amino-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-4-carbonitrile
CID 162755937

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile (CID 141223530) is 3-amino-1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile is N#Cc1cn(C2CCC(F)(F)CC2)nc1N.
What is the InChIKey of 3-amino-1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile?
The InChIKey is UBWILBXDVZEHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4/c11-10(12)3-1-8(2-4-10)16-6-7(5-13)9(14)15-16/h6,8H,1-4H2,(H2,14,15).
What are the key properties of 3-amino-1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile?
3-amino-1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile has a molecular weight of 226.23 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 141223530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).