2-[(3,4-dimethoxyphenyl)methyl]pyrazol-3-amine

C12H15N3O2 — CID 3154154

IUPAC2-[(3,4-dimethoxyphenyl)methyl]pyrazol-3-amine
SMILESCOc1ccc(Cn2nccc2N)cc1OC
InChIInChI=1S/C12H15N3O2/c1-16-10-4-3-9(7-11(10)17-2)8-15-12(13)5-6-14-15/h3-7H,8,13H2,1-2H3
InChIKeyDZRCUBRTSCVVQJ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.53
Rot. Bonds4

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

2-[(3,4-dimethoxyphenyl)methyl]pyrazol-3-amine (PubChem CID 3154154) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]pyrazol-3-amine
PubChem CID3154154
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]pyrazol-3-amine
SMILESCOc1ccc(Cn2nccc2N)cc1OC
InChIInChI=1S/C12H15N3O2/c1-16-10-4-3-9(7-11(10)17-2)8-15-12(13)5-6-14-15/h3-7H,8,13H2,1-2H3
InChIKeyDZRCUBRTSCVVQJ-UHFFFAOYSA-N
XLogP1.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]pyrazol-3-amine?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]pyrazol-3-amine (CID 3154154) is 2-[(3,4-dimethoxyphenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]pyrazol-3-amine is COc1ccc(Cn2nccc2N)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]pyrazol-3-amine?
The InChIKey is DZRCUBRTSCVVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-16-10-4-3-9(7-11(10)17-2)8-15-12(13)5-6-14-15/h3-7H,8,13H2,1-2H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]pyrazol-3-amine?
2-[(3,4-dimethoxyphenyl)methyl]pyrazol-3-amine has a molecular weight of 233.27 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 3154154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).