4-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine

C11H13N3O — CID 30033142

IUPAC4-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine
SMILESCOc1cccc(-c2c(N)n[nH]c2C)c1
InChIInChI=1S/C11H13N3O/c1-7-10(11(12)14-13-7)8-4-3-5-9(6-8)15-2/h3-6H,1-2H3,(H3,12,13,14)
InChIKeyULNKGGFYYAFXOM-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.98
Rot. Bonds2

About 4-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine

4-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine (PubChem CID 30033142) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine
PubChem CID30033142
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name4-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine
SMILESCOc1cccc(-c2c(N)n[nH]c2C)c1
InChIInChI=1S/C11H13N3O/c1-7-10(11(12)14-13-7)8-4-3-5-9(6-8)15-2/h3-6H,1-2H3,(H3,12,13,14)
InChIKeyULNKGGFYYAFXOM-UHFFFAOYSA-N
XLogP1.98
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine (CID 30033142) is 4-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine is COc1cccc(-c2c(N)n[nH]c2C)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine?
The InChIKey is ULNKGGFYYAFXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-10(11(12)14-13-7)8-4-3-5-9(6-8)15-2/h3-6H,1-2H3,(H3,12,13,14).
What are the key properties of 4-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine?
4-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine has a molecular weight of 203.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 30033142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).