3,5-dichloro-4-(1-methylpyrazol-4-yl)oxyaniline

C10H9Cl2N3O — CID 106891061

IUPAC3,5-dichloro-4-(1-methylpyrazol-4-yl)oxyaniline
SMILESCn1cc(Oc2c(Cl)cc(N)cc2Cl)cn1
InChIInChI=1S/C10H9Cl2N3O/c1-15-5-7(4-14-15)16-10-8(11)2-6(13)3-9(10)12/h2-5H,13H2,1H3
InChIKeyAGFWVKRZFFMVOO-UHFFFAOYSA-N
MW258.11 g/mol
LogP3.10
Rot. Bonds2

About 3,5-dichloro-4-(1-methylpyrazol-4-yl)oxyaniline

3,5-dichloro-4-(1-methylpyrazol-4-yl)oxyaniline (PubChem CID 106891061) has the molecular formula C10H9Cl2N3O and a molecular weight of 258.11 g/mol. Its IUPAC name is 3,5-dichloro-4-(1-methylpyrazol-4-yl)oxyaniline.

Molecular Properties

Compound Name3,5-dichloro-4-(1-methylpyrazol-4-yl)oxyaniline
PubChem CID106891061
Molecular FormulaC10H9Cl2N3O
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name3,5-dichloro-4-(1-methylpyrazol-4-yl)oxyaniline
SMILESCn1cc(Oc2c(Cl)cc(N)cc2Cl)cn1
InChIInChI=1S/C10H9Cl2N3O/c1-15-5-7(4-14-15)16-10-8(11)2-6(13)3-9(10)12/h2-5H,13H2,1H3
InChIKeyAGFWVKRZFFMVOO-UHFFFAOYSA-N
XLogP3.10
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 53.10
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

4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine
CID 106748568
methyl 5-amino-3-chloro-2-(1-propylpyrazol-4-yl)oxybenzoate
CID 107198187
3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline
CID 116792351
3,4-difluoro-2-(1-methylpyrazol-4-yl)oxyaniline
CID 116792425
3,5-dichloro-4-(2-cyclopropylpyrimidin-5-yl)oxyaniline
CID 13367550
4-amino-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 43534674
4-[2-chloro-4-(chloromethyl)phenoxy]-1-methylpyrazole
CID 116793035
5-(4-amino-2,6-dichlorophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one
CID 164765728
2-chloro-5-(1-methylpyrazol-4-yl)oxypyrazine
CID 130826945
1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanone
CID 116792877
4-(4-bromo-3,5-dimethylphenoxy)-3,5-dichloroaniline
CID 107722625
5-(4-amino-2,6-dichlorophenoxy)-1-propylpyridin-2-one
CID 166510697

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(1-methylpyrazol-4-yl)oxyaniline?
The IUPAC name of 3,5-dichloro-4-(1-methylpyrazol-4-yl)oxyaniline (CID 106891061) is 3,5-dichloro-4-(1-methylpyrazol-4-yl)oxyaniline.
What is the SMILES notation for 3,5-dichloro-4-(1-methylpyrazol-4-yl)oxyaniline?
The canonical SMILES for 3,5-dichloro-4-(1-methylpyrazol-4-yl)oxyaniline is Cn1cc(Oc2c(Cl)cc(N)cc2Cl)cn1.
What is the InChIKey of 3,5-dichloro-4-(1-methylpyrazol-4-yl)oxyaniline?
The InChIKey is AGFWVKRZFFMVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O/c1-15-5-7(4-14-15)16-10-8(11)2-6(13)3-9(10)12/h2-5H,13H2,1H3.
What are the key properties of 3,5-dichloro-4-(1-methylpyrazol-4-yl)oxyaniline?
3,5-dichloro-4-(1-methylpyrazol-4-yl)oxyaniline has a molecular weight of 258.11 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(1-methylpyrazol-4-yl)oxyaniline is sourced from PubChem (CID 106891061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).