5-amino-3-propan-2-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide

C13H13Cl3N4O — CID 18540630

IUPAC5-amino-3-propan-2-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide
SMILESCC(C)c1nn(-c2c(Cl)cc(Cl)cc2Cl)c(N)c1C(N)=O
InChIInChI=1S/C13H13Cl3N4O/c1-5(2)10-9(13(18)21)12(17)20(19-10)11-7(15)3-6(14)4-8(11)16/h3-5H,17H2,1-2H3,(H2,18,21)
InChIKeyVRBCUHWFFFZBEP-UHFFFAOYSA-N
MW347.63 g/mol
LogP3.64
Rot. Bonds3

About 5-amino-3-propan-2-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide

5-amino-3-propan-2-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide (PubChem CID 18540630) has the molecular formula C13H13Cl3N4O and a molecular weight of 347.63 g/mol. Its IUPAC name is 5-amino-3-propan-2-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-propan-2-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide
PubChem CID18540630
Molecular FormulaC13H13Cl3N4O
Molecular Weight347.63 g/mol
Exact Mass346.02
IUPAC Name5-amino-3-propan-2-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide
SMILESCC(C)c1nn(-c2c(Cl)cc(Cl)cc2Cl)c(N)c1C(N)=O
InChIInChI=1S/C13H13Cl3N4O/c1-5(2)10-9(13(18)21)12(17)20(19-10)11-7(15)3-6(14)4-8(11)16/h3-5H,17H2,1-2H3,(H2,18,21)
InChIKeyVRBCUHWFFFZBEP-UHFFFAOYSA-N
XLogP3.64
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.63
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-propan-2-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-propan-2-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide (CID 18540630) is 5-amino-3-propan-2-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-propan-2-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-propan-2-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide is CC(C)c1nn(-c2c(Cl)cc(Cl)cc2Cl)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-3-propan-2-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide?
The InChIKey is VRBCUHWFFFZBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl3N4O/c1-5(2)10-9(13(18)21)12(17)20(19-10)11-7(15)3-6(14)4-8(11)16/h3-5H,17H2,1-2H3,(H2,18,21).
What are the key properties of 5-amino-3-propan-2-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide?
5-amino-3-propan-2-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide has a molecular weight of 347.63 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-propan-2-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 18540630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).