(1S)-2-(2-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine

C12H12ClF2N3 — CID 166163975

IUPAC(1S)-2-(2-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine
SMILESN[C@@H](Cc1ccccc1Cl)c1ccn(C(F)F)n1
InChIInChI=1S/C12H12ClF2N3/c13-9-4-2-1-3-8(9)7-10(16)11-5-6-18(17-11)12(14)15/h1-6,10,12H,7,16H2/t10-/m0/s1
InChIKeyQHASISWXCWFJQL-JTQLQIEISA-N
MW271.70 g/mol
LogP3.17
Rot. Bonds4

About (1S)-2-(2-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine

(1S)-2-(2-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine (PubChem CID 166163975) has the molecular formula C12H12ClF2N3 and a molecular weight of 271.70 g/mol. Its IUPAC name is (1S)-2-(2-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name(1S)-2-(2-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine
PubChem CID166163975
Molecular FormulaC12H12ClF2N3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name(1S)-2-(2-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine
SMILESN[C@@H](Cc1ccccc1Cl)c1ccn(C(F)F)n1
InChIInChI=1S/C12H12ClF2N3/c13-9-4-2-1-3-8(9)7-10(16)11-5-6-18(17-11)12(14)15/h1-6,10,12H,7,16H2/t10-/m0/s1
InChIKeyQHASISWXCWFJQL-JTQLQIEISA-N
XLogP3.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine
CID 105096491
2-(2-chlorophenyl)-1-pyrazin-2-ylethanamine
CID 60819170
2-(2-chloro-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 112653778
2-(2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803032
(2S)-3-(2-chlorophenyl)-2-fluoropropan-1-amine
CID 129393023
2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
CID 43110651
1-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)ethanamine
CID 105394821
1-(4-chloro-2,5-difluorophenyl)-2-(2-chlorophenyl)ethanamine
CID 82773222
2-(3-chloro-2-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107977894
5-(2-chlorophenyl)-4-methylpentan-2-amine
CID 64719849
2-(2-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 43197901
2-(2-chlorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107513256

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(2-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine?
The IUPAC name of (1S)-2-(2-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine (CID 166163975) is (1S)-2-(2-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine.
What is the SMILES notation for (1S)-2-(2-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine?
The canonical SMILES for (1S)-2-(2-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine is N[C@@H](Cc1ccccc1Cl)c1ccn(C(F)F)n1.
What is the InChIKey of (1S)-2-(2-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine?
The InChIKey is QHASISWXCWFJQL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12ClF2N3/c13-9-4-2-1-3-8(9)7-10(16)11-5-6-18(17-11)12(14)15/h1-6,10,12H,7,16H2/t10-/m0/s1.
What are the key properties of (1S)-2-(2-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine?
(1S)-2-(2-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine has a molecular weight of 271.70 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(2-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine is sourced from PubChem (CID 166163975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).