4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine

C11H11ClFN3O — CID 117392093

IUPAC4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(Cl)cc(F)cc1-c1cnn(C)c1N
InChIInChI=1S/C11H11ClFN3O/c1-16-11(14)8(5-15-16)7-3-6(13)4-9(12)10(7)17-2/h3-5H,14H2,1-2H3
InChIKeyFRONDIPBKCTAJF-UHFFFAOYSA-N
MW255.68 g/mol
LogP2.47
Rot. Bonds2

About 4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine

4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 117392093) has the molecular formula C11H11ClFN3O and a molecular weight of 255.68 g/mol. Its IUPAC name is 4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID117392093
Molecular FormulaC11H11ClFN3O
Molecular Weight255.68 g/mol
Exact Mass255.06
IUPAC Name4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(Cl)cc(F)cc1-c1cnn(C)c1N
InChIInChI=1S/C11H11ClFN3O/c1-16-11(14)8(5-15-16)7-3-6(13)4-9(12)10(7)17-2/h3-5H,14H2,1-2H3
InChIKeyFRONDIPBKCTAJF-UHFFFAOYSA-N
XLogP2.47
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117422690
4-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117490919
4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117452245
4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
CID 63038462
4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117476513
4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426013
4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426009
4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117375989
4-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117422678
4-(3,5-difluoro-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117319251
4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350188
4-(3-fluoro-5-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117315496

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine (CID 117392093) is 4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine is COc1c(Cl)cc(F)cc1-c1cnn(C)c1N.
What is the InChIKey of 4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is FRONDIPBKCTAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O/c1-16-11(14)8(5-15-16)7-3-6(13)4-9(12)10(7)17-2/h3-5H,14H2,1-2H3.
What are the key properties of 4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine?
4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine has a molecular weight of 255.68 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117392093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).