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

C11H13N3O — CID 6484150

IUPAC5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2[nH]nc(N)c2C)cc1
InChIInChI=1S/C11H13N3O/c1-7-10(13-14-11(7)12)8-3-5-9(15-2)6-4-8/h3-6H,1-2H3,(H3,12,13,14)
InChIKeyJTBSZPCRBPBGBL-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.98
Rot. Bonds2

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

5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-amine (PubChem CID 6484150) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-amine
PubChem CID6484150
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2[nH]nc(N)c2C)cc1
InChIInChI=1S/C11H13N3O/c1-7-10(13-14-11(7)12)8-3-5-9(15-2)6-4-8/h3-6H,1-2H3,(H3,12,13,14)
InChIKeyJTBSZPCRBPBGBL-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 5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-amine (CID 6484150) is 5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-amine is COc1ccc(-c2[nH]nc(N)c2C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-amine?
The InChIKey is JTBSZPCRBPBGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-10(13-14-11(7)12)8-3-5-9(15-2)6-4-8/h3-6H,1-2H3,(H3,12,13,14).
What are the key properties of 5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-amine?
5-(4-methoxyphenyl)-4-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 5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 6484150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).