2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-difluoroethanamine

C8H12ClF2N3 — CID 115034214

IUPAC2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-difluoroethanamine
SMILESCC(C)n1ncc(Cl)c1C(F)(F)CN
InChIInChI=1S/C8H12ClF2N3/c1-5(2)14-7(6(9)3-13-14)8(10,11)4-12/h3,5H,4,12H2,1-2H3
InChIKeyZSJVUOZGRXQXKG-UHFFFAOYSA-N
MW223.65 g/mol
LogP2.17
Rot. Bonds3

About 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-difluoroethanamine

2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-difluoroethanamine (PubChem CID 115034214) has the molecular formula C8H12ClF2N3 and a molecular weight of 223.65 g/mol. Its IUPAC name is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-difluoroethanamine
PubChem CID115034214
Molecular FormulaC8H12ClF2N3
Molecular Weight223.65 g/mol
Exact Mass223.07
IUPAC Name2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-difluoroethanamine
SMILESCC(C)n1ncc(Cl)c1C(F)(F)CN
InChIInChI=1S/C8H12ClF2N3/c1-5(2)14-7(6(9)3-13-14)8(10,11)4-12/h3,5H,4,12H2,1-2H3
InChIKeyZSJVUOZGRXQXKG-UHFFFAOYSA-N
XLogP2.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.65
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6,6,6-trifluorohexan-2-ol
CID 114638620
4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-2-one
CID 114663661
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)ethanol
CID 114633409
1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine
CID 105477117
(5-fluoro-1-propan-2-ylpyrazol-4-yl)methanamine
CID 115012224
4-chloro-5-ethyl-1-propan-2-ylpyrazole;ethane
CID 177038898
(4-chloro-1-propan-2-ylpyrazol-5-yl)methylhydrazine
CID 105220837
(2S)-2-(4-chloro-5-methylpyrazol-1-yl)propan-1-amine
CID 42576142
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 114648475
2-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 114665077
2,2-difluoro-2-(1-propan-2-yltetrazol-5-yl)ethanamine
CID 115018366
2-(5-chloro-1-propan-2-ylpyrazol-4-yl)propan-1-amine
CID 84776613

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-difluoroethanamine?
The IUPAC name of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-difluoroethanamine (CID 115034214) is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-difluoroethanamine.
What is the SMILES notation for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-difluoroethanamine?
The canonical SMILES for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-difluoroethanamine is CC(C)n1ncc(Cl)c1C(F)(F)CN.
What is the InChIKey of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-difluoroethanamine?
The InChIKey is ZSJVUOZGRXQXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF2N3/c1-5(2)14-7(6(9)3-13-14)8(10,11)4-12/h3,5H,4,12H2,1-2H3.
What are the key properties of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-difluoroethanamine?
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-difluoroethanamine has a molecular weight of 223.65 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-difluoroethanamine is sourced from PubChem (CID 115034214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).