1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine

C12H13Cl2N3 — CID 1226007

IUPAC1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(Cc2c(Cl)cccc2Cl)c(C)c1N
InChIInChI=1S/C12H13Cl2N3/c1-7-12(15)8(2)17(16-7)6-9-10(13)4-3-5-11(9)14/h3-5H,6,15H2,1-2H3
InChIKeyNCYUFLGJDOLIIV-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.44
Rot. Bonds2

About 1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine

1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine (PubChem CID 1226007) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
PubChem CID1226007
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(Cc2c(Cl)cccc2Cl)c(C)c1N
InChIInChI=1S/C12H13Cl2N3/c1-7-12(15)8(2)17(16-7)6-9-10(13)4-3-5-11(9)14/h3-5H,6,15H2,1-2H3
InChIKeyNCYUFLGJDOLIIV-UHFFFAOYSA-N
XLogP3.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine (CID 1226007) is 1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine is Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1N.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine?
The InChIKey is NCYUFLGJDOLIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-7-12(15)8(2)17(16-7)6-9-10(13)4-3-5-11(9)14/h3-5H,6,15H2,1-2H3.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine?
1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine has a molecular weight of 270.16 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 1226007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).