N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride

C12H14ClF2N3 — CID 126968043

IUPACN-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
SMILESCc1cc(NCc2cccc(F)c2F)n(C)n1.Cl
InChIInChI=1S/C12H13F2N3.ClH/c1-8-6-11(17(2)16-8)15-7-9-4-3-5-10(13)12(9)14;/h3-6,15H,7H2,1-2H3;1H
InChIKeyOEUUMLWNEXCUEW-UHFFFAOYSA-N
MW273.71 g/mol
LogP3.04
Rot. Bonds3

About N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride

N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride (PubChem CID 126968043) has the molecular formula C12H14ClF2N3 and a molecular weight of 273.71 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
PubChem CID126968043
Molecular FormulaC12H14ClF2N3
Molecular Weight273.71 g/mol
Exact Mass273.08
IUPAC NameN-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
SMILESCc1cc(NCc2cccc(F)c2F)n(C)n1.Cl
InChIInChI=1S/C12H13F2N3.ClH/c1-8-6-11(17(2)16-8)15-7-9-4-3-5-10(13)12(9)14;/h3-6,15H,7H2,1-2H3;1H
InChIKeyOEUUMLWNEXCUEW-UHFFFAOYSA-N
XLogP3.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.71
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126968207
N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2,5-dimethylpyrazol-3-amine
CID 75382057
N-[(3,5-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126967917
1-(2,3-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-2-amine
CID 104996017
N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide
CID 62650484
2,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126965380
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126965460
N-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 63668922
1-(difluoromethyl)-N-[(2,3-difluorophenyl)methyl]pyrazol-3-amine;hydrochloride
CID 126966418
N-[(2,3-difluorophenyl)methyl]-5-methylpyridin-3-amine
CID 113278289
N-[(1-ethylpyrazol-3-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126966462
4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline
CID 65469109

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride (CID 126968043) is N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride is Cc1cc(NCc2cccc(F)c2F)n(C)n1.Cl.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride?
The InChIKey is OEUUMLWNEXCUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3.ClH/c1-8-6-11(17(2)16-8)15-7-9-4-3-5-10(13)12(9)14;/h3-6,15H,7H2,1-2H3;1H.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride?
N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride has a molecular weight of 273.71 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126968043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).