2-[1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine

C15H19Cl2N3 — CID 65315793

IUPAC2-[1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
SMILESCNCCc1c(C)nn(Cc2cc(Cl)ccc2Cl)c1C
InChIInChI=1S/C15H19Cl2N3/c1-10-14(6-7-18-3)11(2)20(19-10)9-12-8-13(16)4-5-15(12)17/h4-5,8,18H,6-7,9H2,1-3H3
InChIKeyIUQNWOHLRZVSET-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.62
Rot. Bonds5

About 2-[1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine

2-[1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine (PubChem CID 65315793) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is 2-[1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
PubChem CID65315793
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC Name2-[1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
SMILESCNCCc1c(C)nn(Cc2cc(Cl)ccc2Cl)c1C
InChIInChI=1S/C15H19Cl2N3/c1-10-14(6-7-18-3)11(2)20(19-10)9-12-8-13(16)4-5-15(12)17/h4-5,8,18H,6-7,9H2,1-3H3
InChIKeyIUQNWOHLRZVSET-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine (CID 65315793) is 2-[1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine is CNCCc1c(C)nn(Cc2cc(Cl)ccc2Cl)c1C.
What is the InChIKey of 2-[1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The InChIKey is IUQNWOHLRZVSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-10-14(6-7-18-3)11(2)20(19-10)9-12-8-13(16)4-5-15(12)17/h4-5,8,18H,6-7,9H2,1-3H3.
What are the key properties of 2-[1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
2-[1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine has a molecular weight of 312.24 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 65315793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).