2,6-dichloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline

C13H15Cl2N3 — CID 65469409

IUPAC2,6-dichloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
SMILESCC(C)n1ccc(CNc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H15Cl2N3/c1-9(2)18-7-6-10(17-18)8-16-13-11(14)4-3-5-12(13)15/h3-7,9,16H,8H2,1-2H3
InChIKeyUWMTYPSISLSTIF-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.38
Rot. Bonds4

About 2,6-dichloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline

2,6-dichloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline (PubChem CID 65469409) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 2,6-dichloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
PubChem CID65469409
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name2,6-dichloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
SMILESCC(C)n1ccc(CNc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H15Cl2N3/c1-9(2)18-7-6-10(17-18)8-16-13-11(14)4-3-5-12(13)15/h3-7,9,16H,8H2,1-2H3
InChIKeyUWMTYPSISLSTIF-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 2,6-dichloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline (CID 65469409) is 2,6-dichloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline is CC(C)n1ccc(CNc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 2,6-dichloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline?
The InChIKey is UWMTYPSISLSTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-9(2)18-7-6-10(17-18)8-16-13-11(14)4-3-5-12(13)15/h3-7,9,16H,8H2,1-2H3.
What are the key properties of 2,6-dichloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline?
2,6-dichloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline has a molecular weight of 284.19 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 65469409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).