1-[(3-methoxyphenyl)methyl]pyrazol-4-amine

C11H13N3O — CID 6485350

IUPAC1-[(3-methoxyphenyl)methyl]pyrazol-4-amine
SMILESCOc1cccc(Cn2cc(N)cn2)c1
InChIInChI=1S/C11H13N3O/c1-15-11-4-2-3-9(5-11)7-14-8-10(12)6-13-14/h2-6,8H,7,12H2,1H3
InChIKeyCWKKCWFXWWPOSH-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.52
Rot. Bonds3

About 1-[(3-methoxyphenyl)methyl]pyrazol-4-amine

1-[(3-methoxyphenyl)methyl]pyrazol-4-amine (PubChem CID 6485350) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]pyrazol-4-amine
PubChem CID6485350
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name1-[(3-methoxyphenyl)methyl]pyrazol-4-amine
SMILESCOc1cccc(Cn2cc(N)cn2)c1
InChIInChI=1S/C11H13N3O/c1-15-11-4-2-3-9(5-11)7-14-8-10(12)6-13-14/h2-6,8H,7,12H2,1H3
InChIKeyCWKKCWFXWWPOSH-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 ≤ 500203.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]pyrazol-4-amine (CID 6485350) is 1-[(3-methoxyphenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]pyrazol-4-amine is COc1cccc(Cn2cc(N)cn2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]pyrazol-4-amine?
The InChIKey is CWKKCWFXWWPOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-15-11-4-2-3-9(5-11)7-14-8-10(12)6-13-14/h2-6,8H,7,12H2,1H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]pyrazol-4-amine?
1-[(3-methoxyphenyl)methyl]pyrazol-4-amine has a molecular weight of 203.24 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 1-[(3-methoxyphenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 6485350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).