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

C7H11F2N3 — CID 62729673

IUPAC2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanamine
SMILESNCCc1cnn(CC(F)F)c1
InChIInChI=1S/C7H11F2N3/c8-7(9)5-12-4-6(1-2-10)3-11-12/h3-4,7H,1-2,5,10H2
InChIKeyOVXREFFEEZWRQL-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.65
Rot. Bonds4

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

2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanamine (PubChem CID 62729673) has the molecular formula C7H11F2N3 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanamine
PubChem CID62729673
Molecular FormulaC7H11F2N3
Molecular Weight175.18 g/mol
Exact Mass175.09
IUPAC Name2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanamine
SMILESNCCc1cnn(CC(F)F)c1
InChIInChI=1S/C7H11F2N3/c8-7(9)5-12-4-6(1-2-10)3-11-12/h3-4,7H,1-2,5,10H2
InChIKeyOVXREFFEEZWRQL-UHFFFAOYSA-N
XLogP0.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine
CID 122167670
2-[1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine
CID 106730698
1-(2,2-difluoroethyl)-4-methylpyrazole;ethane
CID 169136137
2-[4-(3-aminopropyl)pyrazol-1-yl]acetonitrile
CID 122240562
1-(2,2-difluoroethyl)-4-(disulfanyl)pyrazole
CID 123440795
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 63279067
2-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine
CID 103037083
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]heptan-1-amine;hydrochloride
CID 126967924
4-(1-ethylpyrazol-4-yl)butan-1-amine
CID 64502922
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine
CID 122167702
2-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]ethanamine
CID 178184391
3-[1-(3-methylbut-2-enyl)pyrazol-4-yl]propan-1-amine
CID 122240842

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanamine (CID 62729673) is 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanamine is NCCc1cnn(CC(F)F)c1.
What is the InChIKey of 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanamine?
The InChIKey is OVXREFFEEZWRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3/c8-7(9)5-12-4-6(1-2-10)3-11-12/h3-4,7H,1-2,5,10H2.
What are the key properties of 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanamine?
2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanamine has a molecular weight of 175.18 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 62729673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).