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

C11H13N3O — CID 54594703

IUPAC5-(3-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
SMILESCNc1cc(-c2cccc(OC)c2)[nH]n1
InChIInChI=1S/C11H13N3O/c1-12-11-7-10(13-14-11)8-4-3-5-9(6-8)15-2/h3-7H,1-2H3,(H2,12,13,14)
InChIKeyFWNXQHNUAKLNOT-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.13
Rot. Bonds3

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

5-(3-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine (PubChem CID 54594703) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
PubChem CID54594703
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name5-(3-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
SMILESCNc1cc(-c2cccc(OC)c2)[nH]n1
InChIInChI=1S/C11H13N3O/c1-12-11-7-10(13-14-11)8-4-3-5-9(6-8)15-2/h3-7H,1-2H3,(H2,12,13,14)
InChIKeyFWNXQHNUAKLNOT-UHFFFAOYSA-N
XLogP2.13
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine (CID 54594703) is 5-(3-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine is CNc1cc(-c2cccc(OC)c2)[nH]n1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine?
The InChIKey is FWNXQHNUAKLNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-12-11-7-10(13-14-11)8-4-3-5-9(6-8)15-2/h3-7H,1-2H3,(H2,12,13,14).
What are the key properties of 5-(3-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine?
5-(3-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine has a molecular weight of 203.24 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 54594703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).