5-[5-chloro-2-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazol-4-amine

C11H10ClF2N3O — CID 166969096

IUPAC5-[5-chloro-2-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazol-4-amine
SMILESCNc1cn[nH]c1-c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C11H10ClF2N3O/c1-15-8-5-16-17-10(8)7-4-6(12)2-3-9(7)18-11(13)14/h2-5,11,15H,1H3,(H,16,17)
InChIKeyZIOHWBOMTMAAMZ-UHFFFAOYSA-N
MW273.67 g/mol
LogP3.37
Rot. Bonds4

About 5-[5-chloro-2-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazol-4-amine

5-[5-chloro-2-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazol-4-amine (PubChem CID 166969096) has the molecular formula C11H10ClF2N3O and a molecular weight of 273.67 g/mol. Its IUPAC name is 5-[5-chloro-2-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-[5-chloro-2-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazol-4-amine
PubChem CID166969096
Molecular FormulaC11H10ClF2N3O
Molecular Weight273.67 g/mol
Exact Mass273.05
IUPAC Name5-[5-chloro-2-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazol-4-amine
SMILESCNc1cn[nH]c1-c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C11H10ClF2N3O/c1-15-8-5-16-17-10(8)7-4-6(12)2-3-9(7)18-11(13)14/h2-5,11,15H,1H3,(H,16,17)
InChIKeyZIOHWBOMTMAAMZ-UHFFFAOYSA-N
XLogP3.37
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.67
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209918
1-[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane
CID 142601323
Pyrazole, 4-amino-5-(o-methoxyphenyl)-, hydrochloride
CID 13303418
5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine
CID 118522324
5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitroso-1H-pyrazole
CID 118531698
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]formamide
CID 88849903
N-[3-(5-chloro-2-methoxyphenyl)-1-[(E)-3,3,3-trifluoroprop-1-enyl]pyrazol-4-yl]formamide
CID 88849908
[(2R)-3-[3-(5-chloro-2-methoxyphenyl)-4-formamidopyrazol-1-yl]-1,1,1-trifluoropropan-2-yl] methanesulfonate
CID 88849910
1-(3-Aminocyclobutyl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-amine
CID 118522326
3-[5-Chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-amine
CID 118522788
2-[4-Amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 118522791
2-[4-Amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 118523132

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-2-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazol-4-amine?
The IUPAC name of 5-[5-chloro-2-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazol-4-amine (CID 166969096) is 5-[5-chloro-2-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazol-4-amine.
What is the SMILES notation for 5-[5-chloro-2-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazol-4-amine?
The canonical SMILES for 5-[5-chloro-2-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazol-4-amine is CNc1cn[nH]c1-c1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 5-[5-chloro-2-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazol-4-amine?
The InChIKey is ZIOHWBOMTMAAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2N3O/c1-15-8-5-16-17-10(8)7-4-6(12)2-3-9(7)18-11(13)14/h2-5,11,15H,1H3,(H,16,17).
What are the key properties of 5-[5-chloro-2-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazol-4-amine?
5-[5-chloro-2-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazol-4-amine has a molecular weight of 273.67 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-2-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazol-4-amine is sourced from PubChem (CID 166969096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).