3-(5-chloro-2,3-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine

C11H10ClF2N3O — CID 117436877

IUPAC3-(5-chloro-2,3-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(Cl)cc(F)c(F)c1-c1cc(N)n(C)n1
InChIInChI=1S/C11H10ClF2N3O/c1-17-8(15)4-7(16-17)9-10(14)6(13)3-5(12)11(9)18-2/h3-4H,15H2,1-2H3
InChIKeyPIPVDKLIEYGCQZ-UHFFFAOYSA-N
MW273.67 g/mol
LogP2.61
Rot. Bonds2

About 3-(5-chloro-2,3-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine

3-(5-chloro-2,3-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 117436877) has the molecular formula C11H10ClF2N3O and a molecular weight of 273.67 g/mol. Its IUPAC name is 3-(5-chloro-2,3-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-chloro-2,3-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID117436877
Molecular FormulaC11H10ClF2N3O
Molecular Weight273.67 g/mol
Exact Mass273.05
IUPAC Name3-(5-chloro-2,3-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(Cl)cc(F)c(F)c1-c1cc(N)n(C)n1
InChIInChI=1S/C11H10ClF2N3O/c1-17-8(15)4-7(16-17)9-10(14)6(13)3-5(12)11(9)18-2/h3-4H,15H2,1-2H3
InChIKeyPIPVDKLIEYGCQZ-UHFFFAOYSA-N
XLogP2.61
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.67
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117452274
3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117427225
3-(3-chloro-2,6-difluorophenyl)-1-methylpyrazol-5-amine
CID 117361022
3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117499176
3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117382581
3-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117418522
3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117476516
3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117376002
3-(2-chloro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117348185
3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1-methylpyrazol-5-amine
CID 115112019
3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117385342
3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine
CID 115112010

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2,3-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(5-chloro-2,3-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine (CID 117436877) is 3-(5-chloro-2,3-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(5-chloro-2,3-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(5-chloro-2,3-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine is COc1c(Cl)cc(F)c(F)c1-c1cc(N)n(C)n1.
What is the InChIKey of 3-(5-chloro-2,3-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is PIPVDKLIEYGCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2N3O/c1-17-8(15)4-7(16-17)9-10(14)6(13)3-5(12)11(9)18-2/h3-4H,15H2,1-2H3.
What are the key properties of 3-(5-chloro-2,3-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine?
3-(5-chloro-2,3-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine has a molecular weight of 273.67 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2,3-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117436877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).