N-[[2-chloro-6-(4-chloropyrazol-1-yl)phenyl]methyl]propan-2-amine

C13H15Cl2N3 — CID 54909921

IUPACN-[[2-chloro-6-(4-chloropyrazol-1-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1c(Cl)cccc1-n1cc(Cl)cn1
InChIInChI=1S/C13H15Cl2N3/c1-9(2)16-7-11-12(15)4-3-5-13(11)18-8-10(14)6-17-18/h3-6,8-9,16H,7H2,1-2H3
InChIKeyDFDWFIYRGCELQN-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.68
Rot. Bonds4

About N-[[2-chloro-6-(4-chloropyrazol-1-yl)phenyl]methyl]propan-2-amine

N-[[2-chloro-6-(4-chloropyrazol-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 54909921) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is N-[[2-chloro-6-(4-chloropyrazol-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-chloro-6-(4-chloropyrazol-1-yl)phenyl]methyl]propan-2-amine
PubChem CID54909921
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC NameN-[[2-chloro-6-(4-chloropyrazol-1-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1c(Cl)cccc1-n1cc(Cl)cn1
InChIInChI=1S/C13H15Cl2N3/c1-9(2)16-7-11-12(15)4-3-5-13(11)18-8-10(14)6-17-18/h3-6,8-9,16H,7H2,1-2H3
InChIKeyDFDWFIYRGCELQN-UHFFFAOYSA-N
XLogP3.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.68
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-chloropyrazol-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-chloro-6-(4-chloropyrazol-1-yl)phenyl]methyl]propan-2-amine (CID 54909921) is N-[[2-chloro-6-(4-chloropyrazol-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-chloro-6-(4-chloropyrazol-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-chloro-6-(4-chloropyrazol-1-yl)phenyl]methyl]propan-2-amine is CC(C)NCc1c(Cl)cccc1-n1cc(Cl)cn1.
What is the InChIKey of N-[[2-chloro-6-(4-chloropyrazol-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is DFDWFIYRGCELQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-9(2)16-7-11-12(15)4-3-5-13(11)18-8-10(14)6-17-18/h3-6,8-9,16H,7H2,1-2H3.
What are the key properties of N-[[2-chloro-6-(4-chloropyrazol-1-yl)phenyl]methyl]propan-2-amine?
N-[[2-chloro-6-(4-chloropyrazol-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 284.19 g/mol, XLogP of 3.68, 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-chloropyrazol-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 54909921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).