4-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclohexan-1-amine

C11H17F2N3 — CID 146389779

IUPAC4-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclohexan-1-amine
SMILESNC1CCC(c2cnn(CC(F)F)c2)CC1
InChIInChI=1S/C11H17F2N3/c12-11(13)7-16-6-9(5-15-16)8-1-3-10(14)4-2-8/h5-6,8,10-11H,1-4,7,14H2
InChIKeyOOLLYFJUNVQTIB-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.13
Rot. Bonds3

About 4-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclohexan-1-amine

4-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclohexan-1-amine (PubChem CID 146389779) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is 4-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclohexan-1-amine
PubChem CID146389779
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC Name4-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclohexan-1-amine
SMILESNC1CCC(c2cnn(CC(F)F)c2)CC1
InChIInChI=1S/C11H17F2N3/c12-11(13)7-16-6-9(5-15-16)8-1-3-10(14)4-2-8/h5-6,8,10-11H,1-4,7,14H2
InChIKeyOOLLYFJUNVQTIB-UHFFFAOYSA-N
XLogP2.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 63085164
4-(1-ethyl-1H-pyrazol-4-yl)piperidine
CID 50987960
cyclobutyl(1-methyl-1H-pyrazol-4-yl)methanamine
CID 43124235
{[1-ethyl-2-(1-methyl-1H-pyrazol-4-yl)piperidin-3-yl]methyl}(methyl)amine
CID 64067740
3-cyclopropyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 121570471
4-[3,3-Difluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine
CID 18187752
2-[(1-Cyclohexylpyrazol-4-yl)methyl]-5,5,5-trifluoro-2-isocyanopentanenitrile
CID 57736301
3-Fluoro-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidine
CID 70847466
2-[(1-Cyclohexylpyrazol-4-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006384
4-(3-Methylbutan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 118301775
1-(2,2-Difluoroethyl)-4-(3-methylbutan-2-yl)pyrazole
CID 118301779
1-(2,2-Difluoroethyl)-4-(3-methylbutyl)pyrazole
CID 118301783

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclohexan-1-amine?
The IUPAC name of 4-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclohexan-1-amine (CID 146389779) is 4-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclohexan-1-amine is NC1CCC(c2cnn(CC(F)F)c2)CC1.
What is the InChIKey of 4-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclohexan-1-amine?
The InChIKey is OOLLYFJUNVQTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c12-11(13)7-16-6-9(5-15-16)8-1-3-10(14)4-2-8/h5-6,8,10-11H,1-4,7,14H2.
What are the key properties of 4-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclohexan-1-amine?
4-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclohexan-1-amine has a molecular weight of 229.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclohexan-1-amine is sourced from PubChem (CID 146389779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).