3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-4-amine

C13H15Cl2N3 — CID 83216651

IUPAC3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-4-amine
SMILESCC(C)(C)c1nn(-c2ccc(Cl)c(Cl)c2)cc1N
InChIInChI=1S/C13H15Cl2N3/c1-13(2,3)12-11(16)7-18(17-12)8-4-5-9(14)10(15)6-8/h4-7H,16H2,1-3H3
InChIKeyIXRAHAWKMWQIBJ-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.06
Rot. Bonds1

About 3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-4-amine

3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-4-amine (PubChem CID 83216651) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-4-amine
PubChem CID83216651
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-4-amine
SMILESCC(C)(C)c1nn(-c2ccc(Cl)c(Cl)c2)cc1N
InChIInChI=1S/C13H15Cl2N3/c1-13(2,3)12-11(16)7-18(17-12)8-4-5-9(14)10(15)6-8/h4-7H,16H2,1-3H3
InChIKeyIXRAHAWKMWQIBJ-UHFFFAOYSA-N
XLogP4.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-4-amine?
The IUPAC name of 3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-4-amine (CID 83216651) is 3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-4-amine.
What is the SMILES notation for 3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-4-amine?
The canonical SMILES for 3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-4-amine is CC(C)(C)c1nn(-c2ccc(Cl)c(Cl)c2)cc1N.
What is the InChIKey of 3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-4-amine?
The InChIKey is IXRAHAWKMWQIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-13(2,3)12-11(16)7-18(17-12)8-4-5-9(14)10(15)6-8/h4-7H,16H2,1-3H3.
What are the key properties of 3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-4-amine?
3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-4-amine has a molecular weight of 284.19 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-4-amine is sourced from PubChem (CID 83216651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).