3-methoxy-1-N-(2-pyrazol-1-ylethyl)benzene-1,2-diamine

C12H16N4O — CID 113392574

IUPAC3-methoxy-1-N-(2-pyrazol-1-ylethyl)benzene-1,2-diamine
SMILESCOc1cccc(NCCn2cccn2)c1N
InChIInChI=1S/C12H16N4O/c1-17-11-5-2-4-10(12(11)13)14-7-9-16-8-3-6-15-16/h2-6,8,14H,7,9,13H2,1H3
InChIKeyYUDBFCXZLOZKBO-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.59
Rot. Bonds5

About 3-methoxy-1-N-(2-pyrazol-1-ylethyl)benzene-1,2-diamine

3-methoxy-1-N-(2-pyrazol-1-ylethyl)benzene-1,2-diamine (PubChem CID 113392574) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-methoxy-1-N-(2-pyrazol-1-ylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-1-N-(2-pyrazol-1-ylethyl)benzene-1,2-diamine
PubChem CID113392574
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-methoxy-1-N-(2-pyrazol-1-ylethyl)benzene-1,2-diamine
SMILESCOc1cccc(NCCn2cccn2)c1N
InChIInChI=1S/C12H16N4O/c1-17-11-5-2-4-10(12(11)13)14-7-9-16-8-3-6-15-16/h2-6,8,14H,7,9,13H2,1H3
InChIKeyYUDBFCXZLOZKBO-UHFFFAOYSA-N
XLogP1.59
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline
CID 54968374
2-amino-3-(2-pyrazol-1-ylethylamino)benzonitrile
CID 113444705
2-amino-N,N-dimethyl-3-(2-pyrazol-1-ylethylamino)benzenesulfonamide
CID 107116008
3-methoxy-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 113392755
2,3-dimethyl-N-(2-pyrazol-1-ylethyl)aniline
CID 61491576
2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 35525598
3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259906
2-(2-amino-3-methoxyanilino)-N-ethylethanesulfonamide
CID 106334340
5-(2,6-dimethoxyphenyl)-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine
CID 42507959
5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459711
3-methoxy-1-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzene-1,2-diamine
CID 113392706
2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 61460888

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-N-(2-pyrazol-1-ylethyl)benzene-1,2-diamine?
The IUPAC name of 3-methoxy-1-N-(2-pyrazol-1-ylethyl)benzene-1,2-diamine (CID 113392574) is 3-methoxy-1-N-(2-pyrazol-1-ylethyl)benzene-1,2-diamine.
What is the SMILES notation for 3-methoxy-1-N-(2-pyrazol-1-ylethyl)benzene-1,2-diamine?
The canonical SMILES for 3-methoxy-1-N-(2-pyrazol-1-ylethyl)benzene-1,2-diamine is COc1cccc(NCCn2cccn2)c1N.
What is the InChIKey of 3-methoxy-1-N-(2-pyrazol-1-ylethyl)benzene-1,2-diamine?
The InChIKey is YUDBFCXZLOZKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-17-11-5-2-4-10(12(11)13)14-7-9-16-8-3-6-15-16/h2-6,8,14H,7,9,13H2,1H3.
What are the key properties of 3-methoxy-1-N-(2-pyrazol-1-ylethyl)benzene-1,2-diamine?
3-methoxy-1-N-(2-pyrazol-1-ylethyl)benzene-1,2-diamine has a molecular weight of 232.29 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-N-(2-pyrazol-1-ylethyl)benzene-1,2-diamine is sourced from PubChem (CID 113392574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).