4-(1-methylpyrazol-4-yl)oxyaniline

C10H11N3O — CID 69194299

IUPAC4-(1-methylpyrazol-4-yl)oxyaniline
SMILESCn1cc(Oc2ccc(N)cc2)cn1
InChIInChI=1S/C10H11N3O/c1-13-7-10(6-12-13)14-9-4-2-8(11)3-5-9/h2-7H,11H2,1H3
InChIKeyDCCRIZZKBMDQEG-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.79
Rot. Bonds2

About 4-(1-methylpyrazol-4-yl)oxyaniline

4-(1-methylpyrazol-4-yl)oxyaniline (PubChem CID 69194299) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)oxyaniline.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)oxyaniline
PubChem CID69194299
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-(1-methylpyrazol-4-yl)oxyaniline
SMILESCn1cc(Oc2ccc(N)cc2)cn1
InChIInChI=1S/C10H11N3O/c1-13-7-10(6-12-13)14-9-4-2-8(11)3-5-9/h2-7H,11H2,1H3
InChIKeyDCCRIZZKBMDQEG-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)oxyaniline?
The IUPAC name of 4-(1-methylpyrazol-4-yl)oxyaniline (CID 69194299) is 4-(1-methylpyrazol-4-yl)oxyaniline.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)oxyaniline?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)oxyaniline is Cn1cc(Oc2ccc(N)cc2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)oxyaniline?
The InChIKey is DCCRIZZKBMDQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-13-7-10(6-12-13)14-9-4-2-8(11)3-5-9/h2-7H,11H2,1H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)oxyaniline?
4-(1-methylpyrazol-4-yl)oxyaniline has a molecular weight of 189.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)oxyaniline is sourced from PubChem (CID 69194299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).