2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-amine

C17H15ClFN3O — CID 110452762

IUPAC2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-amine
SMILESCOc1ccc(Nc2cc(C)nn2-c2cccc(Cl)c2)cc1F
InChIInChI=1S/C17H15ClFN3O/c1-11-8-17(20-13-6-7-16(23-2)15(19)10-13)22(21-11)14-5-3-4-12(18)9-14/h3-10,20H,1-2H3
InChIKeyUVFOIXFBKPLQDI-UHFFFAOYSA-N
MW331.78 g/mol
LogP4.73
Rot. Bonds4

About 2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-amine

2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-amine (PubChem CID 110452762) has the molecular formula C17H15ClFN3O and a molecular weight of 331.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-amine
PubChem CID110452762
Molecular FormulaC17H15ClFN3O
Molecular Weight331.78 g/mol
Exact Mass331.09
IUPAC Name2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-amine
SMILESCOc1ccc(Nc2cc(C)nn2-c2cccc(Cl)c2)cc1F
InChIInChI=1S/C17H15ClFN3O/c1-11-8-17(20-13-6-7-16(23-2)15(19)10-13)22(21-11)14-5-3-4-12(18)9-14/h3-10,20H,1-2H3
InChIKeyUVFOIXFBKPLQDI-UHFFFAOYSA-N
XLogP4.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 110452758
N-(3-chlorophenyl)-3-fluoro-4-methoxyaniline
CID 82536944
1-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55881177
2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 78882498
5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide
CID 55377836
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(2,4-dimethoxyphenyl)acetamide
CID 55480827
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
(E)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 55377766
2-(3-chlorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-5-methylpyrazol-3-amine
CID 12763826
2-N-(3,4-dimethoxyphenyl)-4-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]pyrimidine-2,4-diamine
CID 71232363
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide
CID 55480987

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-amine (CID 110452762) is 2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-amine is COc1ccc(Nc2cc(C)nn2-c2cccc(Cl)c2)cc1F.
What is the InChIKey of 2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-amine?
The InChIKey is UVFOIXFBKPLQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O/c1-11-8-17(20-13-6-7-16(23-2)15(19)10-13)22(21-11)14-5-3-4-12(18)9-14/h3-10,20H,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-amine?
2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-amine has a molecular weight of 331.78 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-amine is sourced from PubChem (CID 110452762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).