3-(2,4-dichlorophenoxy)-1-methylpyrazol-4-amine;hydrochloride

C10H10Cl3N3O — CID 102565571

IUPAC3-(2,4-dichlorophenoxy)-1-methylpyrazol-4-amine;hydrochloride
SMILESCl.Cn1cc(N)c(Oc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H9Cl2N3O.ClH/c1-15-5-8(13)10(14-15)16-9-3-2-6(11)4-7(9)12;/h2-5H,13H2,1H3;1H
InChIKeyNUUABVHSAVLMSB-UHFFFAOYSA-N
MW294.57 g/mol
LogP3.52
Rot. Bonds2

About 3-(2,4-dichlorophenoxy)-1-methylpyrazol-4-amine;hydrochloride

3-(2,4-dichlorophenoxy)-1-methylpyrazol-4-amine;hydrochloride (PubChem CID 102565571) has the molecular formula C10H10Cl3N3O and a molecular weight of 294.57 g/mol. Its IUPAC name is 3-(2,4-dichlorophenoxy)-1-methylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name3-(2,4-dichlorophenoxy)-1-methylpyrazol-4-amine;hydrochloride
PubChem CID102565571
Molecular FormulaC10H10Cl3N3O
Molecular Weight294.57 g/mol
Exact Mass292.99
IUPAC Name3-(2,4-dichlorophenoxy)-1-methylpyrazol-4-amine;hydrochloride
SMILESCl.Cn1cc(N)c(Oc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H9Cl2N3O.ClH/c1-15-5-8(13)10(14-15)16-9-3-2-6(11)4-7(9)12;/h2-5H,13H2,1H3;1H
InChIKeyNUUABVHSAVLMSB-UHFFFAOYSA-N
XLogP3.52
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.57
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-bromo-4-chlorophenoxy)-1-methylpyrazol-4-amine
CID 103079063
3-(2,4-dibromophenoxy)-1-methylpyrazol-4-amine
CID 103079177
3-(4-fluoro-2-methylphenoxy)-1-methylpyrazol-4-amine
CID 103079208
5-bromo-2-(2,4-dichlorophenoxy)pyridin-3-amine
CID 61228293
3-(3,5-dimethylphenoxy)-1-methylpyrazol-4-amine
CID 90480970
3-(2,5-dibromo-4-methoxyphenoxy)-1-methylpyrazol-4-amine
CID 103079192
3-(3-fluoro-4-methylphenoxy)-1-methylpyrazol-4-amine
CID 107168524
3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine
CID 83217060
5-bromo-6-(2,4-dichlorophenoxy)-4-methylpyridin-3-amine
CID 104507237
2,6-dichloro-4,8-bis(2,4-dichlorophenoxy)pyrimido[5,4-d]pyrimidine
CID 13059758
3-(2,5-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine
CID 103079526
3-(3-bromophenoxy)-1-methylpyrazol-4-amine
CID 103079054

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenoxy)-1-methylpyrazol-4-amine;hydrochloride?
The IUPAC name of 3-(2,4-dichlorophenoxy)-1-methylpyrazol-4-amine;hydrochloride (CID 102565571) is 3-(2,4-dichlorophenoxy)-1-methylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 3-(2,4-dichlorophenoxy)-1-methylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 3-(2,4-dichlorophenoxy)-1-methylpyrazol-4-amine;hydrochloride is Cl.Cn1cc(N)c(Oc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 3-(2,4-dichlorophenoxy)-1-methylpyrazol-4-amine;hydrochloride?
The InChIKey is NUUABVHSAVLMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O.ClH/c1-15-5-8(13)10(14-15)16-9-3-2-6(11)4-7(9)12;/h2-5H,13H2,1H3;1H.
What are the key properties of 3-(2,4-dichlorophenoxy)-1-methylpyrazol-4-amine;hydrochloride?
3-(2,4-dichlorophenoxy)-1-methylpyrazol-4-amine;hydrochloride has a molecular weight of 294.57 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenoxy)-1-methylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 102565571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).