2-[(4-methoxyphenyl)methyl]pyrazol-3-amine

C11H13N3O — CID 3161262

IUPAC2-[(4-methoxyphenyl)methyl]pyrazol-3-amine
SMILESCOc1ccc(Cn2nccc2N)cc1
InChIInChI=1S/C11H13N3O/c1-15-10-4-2-9(3-5-10)8-14-11(12)6-7-13-14/h2-7H,8,12H2,1H3
InChIKeyJEBIFRSQWFZFMT-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.52
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]pyrazol-3-amine

2-[(4-methoxyphenyl)methyl]pyrazol-3-amine (PubChem CID 3161262) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]pyrazol-3-amine
PubChem CID3161262
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-[(4-methoxyphenyl)methyl]pyrazol-3-amine
SMILESCOc1ccc(Cn2nccc2N)cc1
InChIInChI=1S/C11H13N3O/c1-15-10-4-2-9(3-5-10)8-14-11(12)6-7-13-14/h2-7H,8,12H2,1H3
InChIKeyJEBIFRSQWFZFMT-UHFFFAOYSA-N
XLogP1.52
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]pyrazol-3-amine?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]pyrazol-3-amine (CID 3161262) is 2-[(4-methoxyphenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]pyrazol-3-amine is COc1ccc(Cn2nccc2N)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]pyrazol-3-amine?
The InChIKey is JEBIFRSQWFZFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-15-10-4-2-9(3-5-10)8-14-11(12)6-7-13-14/h2-7H,8,12H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]pyrazol-3-amine?
2-[(4-methoxyphenyl)methyl]pyrazol-3-amine has a molecular weight of 203.25 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 3161262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).