2-(4-methoxypyrazol-1-yl)aniline

C10H11N3O — CID 130511077

IUPAC2-(4-methoxypyrazol-1-yl)aniline
SMILESCOc1cnn(-c2ccccc2N)c1
InChIInChI=1S/C10H11N3O/c1-14-8-6-12-13(7-8)10-5-3-2-4-9(10)11/h2-7H,11H2,1H3
InChIKeyKKIQQBOAFJGZFN-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.46
Rot. Bonds2

About 2-(4-methoxypyrazol-1-yl)aniline

2-(4-methoxypyrazol-1-yl)aniline (PubChem CID 130511077) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(4-methoxypyrazol-1-yl)aniline.

Molecular Properties

Compound Name2-(4-methoxypyrazol-1-yl)aniline
PubChem CID130511077
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-(4-methoxypyrazol-1-yl)aniline
SMILESCOc1cnn(-c2ccccc2N)c1
InChIInChI=1S/C10H11N3O/c1-14-8-6-12-13(7-8)10-5-3-2-4-9(10)11/h2-7H,11H2,1H3
InChIKeyKKIQQBOAFJGZFN-UHFFFAOYSA-N
XLogP1.46
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypyrazol-1-yl)aniline?
The IUPAC name of 2-(4-methoxypyrazol-1-yl)aniline (CID 130511077) is 2-(4-methoxypyrazol-1-yl)aniline.
What is the SMILES notation for 2-(4-methoxypyrazol-1-yl)aniline?
The canonical SMILES for 2-(4-methoxypyrazol-1-yl)aniline is COc1cnn(-c2ccccc2N)c1.
What is the InChIKey of 2-(4-methoxypyrazol-1-yl)aniline?
The InChIKey is KKIQQBOAFJGZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-14-8-6-12-13(7-8)10-5-3-2-4-9(10)11/h2-7H,11H2,1H3.
What are the key properties of 2-(4-methoxypyrazol-1-yl)aniline?
2-(4-methoxypyrazol-1-yl)aniline has a molecular weight of 189.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypyrazol-1-yl)aniline is sourced from PubChem (CID 130511077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).