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

C11H12ClN3O — CID 117348185

IUPAC3-(2-chloro-6-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cccc(Cl)c1-c1cc(N)n(C)n1
InChIInChI=1S/C11H12ClN3O/c1-15-10(13)6-8(14-15)11-7(12)4-3-5-9(11)16-2/h3-6H,13H2,1-2H3
InChIKeyNJPIGGWXRZBHGP-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.33
Rot. Bonds2

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

3-(2-chloro-6-methoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 117348185) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-(2-chloro-6-methoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-chloro-6-methoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID117348185
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name3-(2-chloro-6-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cccc(Cl)c1-c1cc(N)n(C)n1
InChIInChI=1S/C11H12ClN3O/c1-15-10(13)6-8(14-15)11-7(12)4-3-5-9(11)16-2/h3-6H,13H2,1-2H3
InChIKeyNJPIGGWXRZBHGP-UHFFFAOYSA-N
XLogP2.33
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-methoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(2-chloro-6-methoxyphenyl)-1-methylpyrazol-5-amine (CID 117348185) is 3-(2-chloro-6-methoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(2-chloro-6-methoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(2-chloro-6-methoxyphenyl)-1-methylpyrazol-5-amine is COc1cccc(Cl)c1-c1cc(N)n(C)n1.
What is the InChIKey of 3-(2-chloro-6-methoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is NJPIGGWXRZBHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-15-10(13)6-8(14-15)11-7(12)4-3-5-9(11)16-2/h3-6H,13H2,1-2H3.
What are the key properties of 3-(2-chloro-6-methoxyphenyl)-1-methylpyrazol-5-amine?
3-(2-chloro-6-methoxyphenyl)-1-methylpyrazol-5-amine has a molecular weight of 237.69 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-methoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117348185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).