5-butan-2-yl-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine

C13H15Cl2N3 — CID 43157336

IUPAC5-butan-2-yl-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine
SMILESCCC(C)c1[nH]nc(N)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl2N3/c1-3-7(2)12-11(13(16)18-17-12)10-8(14)5-4-6-9(10)15/h4-7H,3H2,1-2H3,(H3,16,17,18)
InChIKeyOLAQFXUYBDEQMA-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.48
Rot. Bonds3

About 5-butan-2-yl-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine

5-butan-2-yl-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine (PubChem CID 43157336) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 5-butan-2-yl-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-butan-2-yl-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine
PubChem CID43157336
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name5-butan-2-yl-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine
SMILESCCC(C)c1[nH]nc(N)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl2N3/c1-3-7(2)12-11(13(16)18-17-12)10-8(14)5-4-6-9(10)15/h4-7H,3H2,1-2H3,(H3,16,17,18)
InChIKeyOLAQFXUYBDEQMA-UHFFFAOYSA-N
XLogP4.48
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-butan-2-yl-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine (CID 43157336) is 5-butan-2-yl-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-butan-2-yl-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-butan-2-yl-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine is CCC(C)c1[nH]nc(N)c1-c1c(Cl)cccc1Cl.
What is the InChIKey of 5-butan-2-yl-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine?
The InChIKey is OLAQFXUYBDEQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-3-7(2)12-11(13(16)18-17-12)10-8(14)5-4-6-9(10)15/h4-7H,3H2,1-2H3,(H3,16,17,18).
What are the key properties of 5-butan-2-yl-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine?
5-butan-2-yl-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine has a molecular weight of 284.19 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 43157336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).