4-(2-chloro-5-methoxy-4-methylphenyl)-1H-pyrazol-5-amine

C11H12ClN3O — CID 117348168

IUPAC4-(2-chloro-5-methoxy-4-methylphenyl)-1H-pyrazol-5-amine
SMILESCOc1cc(-c2cn[nH]c2N)c(Cl)cc1C
InChIInChI=1S/C11H12ClN3O/c1-6-3-9(12)7(4-10(6)16-2)8-5-14-15-11(8)13/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyVKMSDSDAWHWHOA-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.63
Rot. Bonds2

About 4-(2-chloro-5-methoxy-4-methylphenyl)-1H-pyrazol-5-amine

4-(2-chloro-5-methoxy-4-methylphenyl)-1H-pyrazol-5-amine (PubChem CID 117348168) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-(2-chloro-5-methoxy-4-methylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-5-methoxy-4-methylphenyl)-1H-pyrazol-5-amine
PubChem CID117348168
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name4-(2-chloro-5-methoxy-4-methylphenyl)-1H-pyrazol-5-amine
SMILESCOc1cc(-c2cn[nH]c2N)c(Cl)cc1C
InChIInChI=1S/C11H12ClN3O/c1-6-3-9(12)7(4-10(6)16-2)8-5-14-15-11(8)13/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyVKMSDSDAWHWHOA-UHFFFAOYSA-N
XLogP2.63
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-methoxy-4-methylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2-chloro-5-methoxy-4-methylphenyl)-1H-pyrazol-5-amine (CID 117348168) is 4-(2-chloro-5-methoxy-4-methylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2-chloro-5-methoxy-4-methylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2-chloro-5-methoxy-4-methylphenyl)-1H-pyrazol-5-amine is COc1cc(-c2cn[nH]c2N)c(Cl)cc1C.
What is the InChIKey of 4-(2-chloro-5-methoxy-4-methylphenyl)-1H-pyrazol-5-amine?
The InChIKey is VKMSDSDAWHWHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-6-3-9(12)7(4-10(6)16-2)8-5-14-15-11(8)13/h3-5H,1-2H3,(H3,13,14,15).
What are the key properties of 4-(2-chloro-5-methoxy-4-methylphenyl)-1H-pyrazol-5-amine?
4-(2-chloro-5-methoxy-4-methylphenyl)-1H-pyrazol-5-amine has a molecular weight of 237.69 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-methoxy-4-methylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117348168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).