3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine

C12H14ClN3O — CID 117382581

IUPAC3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1ccc(Cl)c(C)c1-c1cc(N)n(C)n1
InChIInChI=1S/C12H14ClN3O/c1-7-8(13)4-5-10(17-3)12(7)9-6-11(14)16(2)15-9/h4-6H,14H2,1-3H3
InChIKeyYQFHQCJGDADTMS-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.64
Rot. Bonds2

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

3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117382581) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
PubChem CID117382581
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1ccc(Cl)c(C)c1-c1cc(N)n(C)n1
InChIInChI=1S/C12H14ClN3O/c1-7-8(13)4-5-10(17-3)12(7)9-6-11(14)16(2)15-9/h4-6H,14H2,1-3H3
InChIKeyYQFHQCJGDADTMS-UHFFFAOYSA-N
XLogP2.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117370817
3-(2-chloro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117348185
3-(3-chloro-2,6-difluorophenyl)-1-methylpyrazol-5-amine
CID 117361022
3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117453066
5-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 117349806
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117452274
3-(5-chloro-2,3-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117436877
3-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1-methylpyrazol-5-amine
CID 117431561
3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117476516
3-(2-chloro-3-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117382584
3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117427225
3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61033459

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine (CID 117382581) is 3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine is COc1ccc(Cl)c(C)c1-c1cc(N)n(C)n1.
What is the InChIKey of 3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is YQFHQCJGDADTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-7-8(13)4-5-10(17-3)12(7)9-6-11(14)16(2)15-9/h4-6H,14H2,1-3H3.
What are the key properties of 3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine?
3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 251.72 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117382581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).