5-[5-chloro-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-amine

C11H10ClF2N3O — CID 146201463

IUPAC5-[5-chloro-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-amine
SMILESCn1ncc(N)c1-c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C11H10ClF2N3O/c1-17-10(8(15)5-16-17)7-4-6(12)2-3-9(7)18-11(13)14/h2-5,11H,15H2,1H3
InChIKeyVMKOZOYXCBTUOP-UHFFFAOYSA-N
MW273.67 g/mol
LogP2.92
Rot. Bonds3

About 5-[5-chloro-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-amine

5-[5-chloro-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-amine (PubChem CID 146201463) has the molecular formula C11H10ClF2N3O and a molecular weight of 273.67 g/mol. Its IUPAC name is 5-[5-chloro-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-[5-chloro-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-amine
PubChem CID146201463
Molecular FormulaC11H10ClF2N3O
Molecular Weight273.67 g/mol
Exact Mass273.05
IUPAC Name5-[5-chloro-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-amine
SMILESCn1ncc(N)c1-c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C11H10ClF2N3O/c1-17-10(8(15)5-16-17)7-4-6(12)2-3-9(7)18-11(13)14/h2-5,11H,15H2,1H3
InChIKeyVMKOZOYXCBTUOP-UHFFFAOYSA-N
XLogP2.92
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.67
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

MAT-POS-a2421bb6-4
CID 156906170
1-(2,2-difluoroethyl)-N-(2-methoxybenzyl)-1H-pyrazol-4-amine
CID 25247606
(5-chloro-2-methoxybenzyl)[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]ethylamine
CID 46999917
1-[1-[(5-Chloro-2-methoxyphenyl)methyl]azetidin-3-yl]pyrazole
CID 53583184
1-[2-(5-Chloro-2-methoxyphenyl)ethyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 75391083
5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine
CID 118522324
5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitroso-1H-pyrazole
CID 118531698
3-(4-chloro-2-methylpyrazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 10021905
3-(4-fluoro-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenylamine
CID 23139449
3-(4-chloro-2-methyl-5-trifluoromethyl-2H-pyrazol-3-yl)-4-methoxy-phenylamine
CID 23139451
4-[4-Chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-(fluoromethoxy)aniline
CID 53708790
N-(4-chlorophenyl)-3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyaniline
CID 58727648

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-amine?
The IUPAC name of 5-[5-chloro-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-amine (CID 146201463) is 5-[5-chloro-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for 5-[5-chloro-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-amine?
The canonical SMILES for 5-[5-chloro-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-amine is Cn1ncc(N)c1-c1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 5-[5-chloro-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-amine?
The InChIKey is VMKOZOYXCBTUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2N3O/c1-17-10(8(15)5-16-17)7-4-6(12)2-3-9(7)18-11(13)14/h2-5,11H,15H2,1H3.
What are the key properties of 5-[5-chloro-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-amine?
5-[5-chloro-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-amine has a molecular weight of 273.67 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 146201463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).