1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine

C16H13Cl2N3O — CID 2742644

IUPAC1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine
SMILESCOc1ccc(-c2cc(N)n(-c3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C16H13Cl2N3O/c1-22-12-5-2-10(3-6-12)15-9-16(19)21(20-15)11-4-7-13(17)14(18)8-11/h2-9H,19H2,1H3
InChIKeyZMCSFTFYNSVYAU-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.44
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine

1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine (PubChem CID 2742644) has the molecular formula C16H13Cl2N3O and a molecular weight of 334.21 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine
PubChem CID2742644
Molecular FormulaC16H13Cl2N3O
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine
SMILESCOc1ccc(-c2cc(N)n(-c3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C16H13Cl2N3O/c1-22-12-5-2-10(3-6-12)15-9-16(19)21(20-15)11-4-7-13(17)14(18)8-11/h2-9H,19H2,1H3
InChIKeyZMCSFTFYNSVYAU-UHFFFAOYSA-N
XLogP4.44
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine (CID 2742644) is 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine is COc1ccc(-c2cc(N)n(-c3ccc(Cl)c(Cl)c3)n2)cc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine?
The InChIKey is ZMCSFTFYNSVYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O/c1-22-12-5-2-10(3-6-12)15-9-16(19)21(20-15)11-4-7-13(17)14(18)8-11/h2-9H,19H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine?
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine has a molecular weight of 334.21 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine is sourced from PubChem (CID 2742644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).