N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-2-amine

C15H19Cl2N3 — CID 62131046

IUPACN-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-2-amine
SMILESCc1nn(-c2cccc(Cl)c2CNC(C)C)c(C)c1Cl
InChIInChI=1S/C15H19Cl2N3/c1-9(2)18-8-12-13(16)6-5-7-14(12)20-11(4)15(17)10(3)19-20/h5-7,9,18H,8H2,1-4H3
InChIKeyHVACTVUYKABXEV-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.29
Rot. Bonds4

About N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-2-amine

N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 62131046) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-2-amine
PubChem CID62131046
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC NameN-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-2-amine
SMILESCc1nn(-c2cccc(Cl)c2CNC(C)C)c(C)c1Cl
InChIInChI=1S/C15H19Cl2N3/c1-9(2)18-8-12-13(16)6-5-7-14(12)20-11(4)15(17)10(3)19-20/h5-7,9,18H,8H2,1-4H3
InChIKeyHVACTVUYKABXEV-UHFFFAOYSA-N
XLogP4.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-2-amine (CID 62131046) is N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-2-amine is Cc1nn(-c2cccc(Cl)c2CNC(C)C)c(C)c1Cl.
What is the InChIKey of N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is HVACTVUYKABXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-9(2)18-8-12-13(16)6-5-7-14(12)20-11(4)15(17)10(3)19-20/h5-7,9,18H,8H2,1-4H3.
What are the key properties of N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-2-amine?
N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 312.24 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62131046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).