2-(1-butylpyrazol-4-yl)oxyaniline

C13H17N3O — CID 166174631

IUPAC2-(1-butylpyrazol-4-yl)oxyaniline
SMILESCCCCn1cc(Oc2ccccc2N)cn1
InChIInChI=1S/C13H17N3O/c1-2-3-8-16-10-11(9-15-16)17-13-7-5-4-6-12(13)14/h4-7,9-10H,2-3,8,14H2,1H3
InChIKeyKHKPTUIQINSRSY-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.06
Rot. Bonds5

About 2-(1-butylpyrazol-4-yl)oxyaniline

2-(1-butylpyrazol-4-yl)oxyaniline (PubChem CID 166174631) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(1-butylpyrazol-4-yl)oxyaniline.

Molecular Properties

Compound Name2-(1-butylpyrazol-4-yl)oxyaniline
PubChem CID166174631
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(1-butylpyrazol-4-yl)oxyaniline
SMILESCCCCn1cc(Oc2ccccc2N)cn1
InChIInChI=1S/C13H17N3O/c1-2-3-8-16-10-11(9-15-16)17-13-7-5-4-6-12(13)14/h4-7,9-10H,2-3,8,14H2,1H3
InChIKeyKHKPTUIQINSRSY-UHFFFAOYSA-N
XLogP3.06
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-propoxy-4-(1-propylpyrazol-4-yl)oxyaniline
CID 116800416
1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801605
2-[4-(2-bromophenoxy)pyrazol-1-yl]ethanamine
CID 115051835
2-[3-(4-chloropyrazol-1-yl)propoxy]aniline
CID 54909442
(1S)-1-[2-methoxy-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 104893552
3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide
CID 116800376
5-(1-butylpyrazol-4-yl)naphthalen-1-amine
CID 172677743
1-[2-fluoro-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801704
4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole
CID 116802044
1-benzyl-4-(2-methoxyphenoxy)pyrazole
CID 117234112
2-[4-(2-fluorophenoxy)pyrazol-1-yl]ethanol
CID 117124831
1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801587

Frequently Asked Questions

What is the IUPAC name of 2-(1-butylpyrazol-4-yl)oxyaniline?
The IUPAC name of 2-(1-butylpyrazol-4-yl)oxyaniline (CID 166174631) is 2-(1-butylpyrazol-4-yl)oxyaniline.
What is the SMILES notation for 2-(1-butylpyrazol-4-yl)oxyaniline?
The canonical SMILES for 2-(1-butylpyrazol-4-yl)oxyaniline is CCCCn1cc(Oc2ccccc2N)cn1.
What is the InChIKey of 2-(1-butylpyrazol-4-yl)oxyaniline?
The InChIKey is KHKPTUIQINSRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-3-8-16-10-11(9-15-16)17-13-7-5-4-6-12(13)14/h4-7,9-10H,2-3,8,14H2,1H3.
What are the key properties of 2-(1-butylpyrazol-4-yl)oxyaniline?
2-(1-butylpyrazol-4-yl)oxyaniline has a molecular weight of 231.30 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butylpyrazol-4-yl)oxyaniline is sourced from PubChem (CID 166174631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).