5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine

C17H14ClF2N3O — CID 102205405

IUPAC5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine
SMILESCOc1cc(F)c(-c2c(N)nn(C)c2-c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C17H14ClF2N3O/c1-23-16(9-3-5-10(18)6-4-9)15(17(21)22-23)14-12(19)7-11(24-2)8-13(14)20/h3-8H,1-2H3,(H2,21,22)
InChIKeyGEYUQTQSVKUPBK-UHFFFAOYSA-N
MW349.77 g/mol
LogP4.28
Rot. Bonds3

About 5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine

5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine (PubChem CID 102205405) has the molecular formula C17H14ClF2N3O and a molecular weight of 349.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine
PubChem CID102205405
Molecular FormulaC17H14ClF2N3O
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC Name5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine
SMILESCOc1cc(F)c(-c2c(N)nn(C)c2-c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C17H14ClF2N3O/c1-23-16(9-3-5-10(18)6-4-9)15(17(21)22-23)14-12(19)7-11(24-2)8-13(14)20/h3-8H,1-2H3,(H2,21,22)
InChIKeyGEYUQTQSVKUPBK-UHFFFAOYSA-N
XLogP4.28
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-amine
CID 970025
3-Chloro-5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazole
CID 44241548
3-Chloro-5-(4-methoxyphenyl)-1-methyl-4-(2,4,6-trifluorophenyl)pyrazole
CID 44256427
3-Chloro-4-(2,6-difluoro-4-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazole
CID 44256428
1-Benzyl-5-chloro-3-(4-methoxyphenyl)-4-(2,4,6-trifluorophenyl)pyrazole
CID 66881156
5-Chloro-3-(4-methoxyphenyl)-1-methyl-4-(2,4,6-trifluorophenyl)pyrazole
CID 135024577
4-Chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole
CID 102127698
3-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole
CID 135065097
4-(1-Cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3-phenyl-1H-pyrazol-5-amine
CID 134307558
(E)-1-(4-methoxyphenyl)-N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methanimine
CID 9580619
4-chloro-1-(4-chlorobenzyl)-3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole
CID 19586876
4-Chloro-3-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-5-(difluoromethoxy)-1-methylpyrazole
CID 15376691

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine?
The IUPAC name of 5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine (CID 102205405) is 5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine?
The canonical SMILES for 5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine is COc1cc(F)c(-c2c(N)nn(C)c2-c2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine?
The InChIKey is GEYUQTQSVKUPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N3O/c1-23-16(9-3-5-10(18)6-4-9)15(17(21)22-23)14-12(19)7-11(24-2)8-13(14)20/h3-8H,1-2H3,(H2,21,22).
What are the key properties of 5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine?
5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine has a molecular weight of 349.77 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 102205405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).