2,2-difluoro-2-(5-propan-2-yl-1H-pyrazol-3-yl)ethanamine

C8H13F2N3 — CID 119031272

IUPAC2,2-difluoro-2-(5-propan-2-yl-1H-pyrazol-3-yl)ethanamine
SMILESCC(C)c1cc(C(F)(F)CN)n[nH]1
InChIInChI=1S/C8H13F2N3/c1-5(2)6-3-7(13-12-6)8(9,10)4-11/h3,5H,4,11H2,1-2H3,(H,12,13)
InChIKeyKUXKBZKRYMNXRU-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.58
Rot. Bonds3

About 2,2-difluoro-2-(5-propan-2-yl-1H-pyrazol-3-yl)ethanamine

2,2-difluoro-2-(5-propan-2-yl-1H-pyrazol-3-yl)ethanamine (PubChem CID 119031272) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2,2-difluoro-2-(5-propan-2-yl-1H-pyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-(5-propan-2-yl-1H-pyrazol-3-yl)ethanamine
PubChem CID119031272
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name2,2-difluoro-2-(5-propan-2-yl-1H-pyrazol-3-yl)ethanamine
SMILESCC(C)c1cc(C(F)(F)CN)n[nH]1
InChIInChI=1S/C8H13F2N3/c1-5(2)6-3-7(13-12-6)8(9,10)4-11/h3,5H,4,11H2,1-2H3,(H,12,13)
InChIKeyKUXKBZKRYMNXRU-UHFFFAOYSA-N
XLogP1.58
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole
CID 600756
3,5-Di-t-butylpyrazole
CID 136912
(3-cyclopropyl-1H-pyrazol-5-yl)methanamine
CID 6485300
5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole
CID 7147403
3,5-diethyl-1H-pyrazole
CID 4306367
3,5-Diisopropylpyrazole
CID 5255229
5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole
CID 7147438
(3-ethyl-1H-pyrazol-5-yl)methanamine
CID 23006039
1-(5-Cyclopropyl-1H-pyrazol-3-YL)-N-methylmethanamine
CID 44236867
3-(Heptafluoropropyl)-5-methyl-1H-pyrazole
CID 2774945
3-(Perfluoro-1-hexyl)-5-(methyl)pyrazole
CID 2776179
3-(Perfluoropentyl)-5-methylpyrazole
CID 2776343

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(5-propan-2-yl-1H-pyrazol-3-yl)ethanamine?
The IUPAC name of 2,2-difluoro-2-(5-propan-2-yl-1H-pyrazol-3-yl)ethanamine (CID 119031272) is 2,2-difluoro-2-(5-propan-2-yl-1H-pyrazol-3-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-2-(5-propan-2-yl-1H-pyrazol-3-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-2-(5-propan-2-yl-1H-pyrazol-3-yl)ethanamine is CC(C)c1cc(C(F)(F)CN)n[nH]1.
What is the InChIKey of 2,2-difluoro-2-(5-propan-2-yl-1H-pyrazol-3-yl)ethanamine?
The InChIKey is KUXKBZKRYMNXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-5(2)6-3-7(13-12-6)8(9,10)4-11/h3,5H,4,11H2,1-2H3,(H,12,13).
What are the key properties of 2,2-difluoro-2-(5-propan-2-yl-1H-pyrazol-3-yl)ethanamine?
2,2-difluoro-2-(5-propan-2-yl-1H-pyrazol-3-yl)ethanamine has a molecular weight of 189.21 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(5-propan-2-yl-1H-pyrazol-3-yl)ethanamine is sourced from PubChem (CID 119031272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).