1-butan-2-yl-3-(2,5-dichlorophenyl)pyrazol-4-amine

C13H15Cl2N3 — CID 83218434

IUPAC1-butan-2-yl-3-(2,5-dichlorophenyl)pyrazol-4-amine
SMILESCCC(C)n1cc(N)c(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H15Cl2N3/c1-3-8(2)18-7-12(16)13(17-18)10-6-9(14)4-5-11(10)15/h4-8H,3,16H2,1-2H3
InChIKeyHKOHHXGPGCCNPT-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.41
Rot. Bonds3

About 1-butan-2-yl-3-(2,5-dichlorophenyl)pyrazol-4-amine

1-butan-2-yl-3-(2,5-dichlorophenyl)pyrazol-4-amine (PubChem CID 83218434) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 1-butan-2-yl-3-(2,5-dichlorophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-butan-2-yl-3-(2,5-dichlorophenyl)pyrazol-4-amine
PubChem CID83218434
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name1-butan-2-yl-3-(2,5-dichlorophenyl)pyrazol-4-amine
SMILESCCC(C)n1cc(N)c(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H15Cl2N3/c1-3-8(2)18-7-12(16)13(17-18)10-6-9(14)4-5-11(10)15/h4-8H,3,16H2,1-2H3
InChIKeyHKOHHXGPGCCNPT-UHFFFAOYSA-N
XLogP4.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(2,5-dichlorophenyl)pyrazol-4-amine?
The IUPAC name of 1-butan-2-yl-3-(2,5-dichlorophenyl)pyrazol-4-amine (CID 83218434) is 1-butan-2-yl-3-(2,5-dichlorophenyl)pyrazol-4-amine.
What is the SMILES notation for 1-butan-2-yl-3-(2,5-dichlorophenyl)pyrazol-4-amine?
The canonical SMILES for 1-butan-2-yl-3-(2,5-dichlorophenyl)pyrazol-4-amine is CCC(C)n1cc(N)c(-c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 1-butan-2-yl-3-(2,5-dichlorophenyl)pyrazol-4-amine?
The InChIKey is HKOHHXGPGCCNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-3-8(2)18-7-12(16)13(17-18)10-6-9(14)4-5-11(10)15/h4-8H,3,16H2,1-2H3.
What are the key properties of 1-butan-2-yl-3-(2,5-dichlorophenyl)pyrazol-4-amine?
1-butan-2-yl-3-(2,5-dichlorophenyl)pyrazol-4-amine has a molecular weight of 284.19 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(2,5-dichlorophenyl)pyrazol-4-amine is sourced from PubChem (CID 83218434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).