1-(2,6-dichlorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)amino]pyrazole-3-carboxamide

C13H11Cl2N7O — CID 162440656

IUPAC1-(2,6-dichlorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)amino]pyrazole-3-carboxamide
SMILESCn1ncnc1Nc1cn(-c2c(Cl)cccc2Cl)nc1C(N)=O
InChIInChI=1S/C13H11Cl2N7O/c1-21-13(17-6-18-21)19-9-5-22(20-10(9)12(16)23)11-7(14)3-2-4-8(11)15/h2-6H,1H3,(H2,16,23)(H,17,18,19)
InChIKeyAEAYXEDDEROZBT-UHFFFAOYSA-N
MW352.19 g/mol
LogP2.15
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)amino]pyrazole-3-carboxamide

1-(2,6-dichlorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)amino]pyrazole-3-carboxamide (PubChem CID 162440656) has the molecular formula C13H11Cl2N7O and a molecular weight of 352.19 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)amino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)amino]pyrazole-3-carboxamide
PubChem CID162440656
Molecular FormulaC13H11Cl2N7O
Molecular Weight352.19 g/mol
Exact Mass351.04
IUPAC Name1-(2,6-dichlorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)amino]pyrazole-3-carboxamide
SMILESCn1ncnc1Nc1cn(-c2c(Cl)cccc2Cl)nc1C(N)=O
InChIInChI=1S/C13H11Cl2N7O/c1-21-13(17-6-18-21)19-9-5-22(20-10(9)12(16)23)11-7(14)3-2-4-8(11)15/h2-6H,1H3,(H2,16,23)(H,17,18,19)
InChIKeyAEAYXEDDEROZBT-UHFFFAOYSA-N
XLogP2.15
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)amino]pyrazole-3-carboxamide?
The IUPAC name of 1-(2,6-dichlorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)amino]pyrazole-3-carboxamide (CID 162440656) is 1-(2,6-dichlorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)amino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)amino]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)amino]pyrazole-3-carboxamide is Cn1ncnc1Nc1cn(-c2c(Cl)cccc2Cl)nc1C(N)=O.
What is the InChIKey of 1-(2,6-dichlorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)amino]pyrazole-3-carboxamide?
The InChIKey is AEAYXEDDEROZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N7O/c1-21-13(17-6-18-21)19-9-5-22(20-10(9)12(16)23)11-7(14)3-2-4-8(11)15/h2-6H,1H3,(H2,16,23)(H,17,18,19).
What are the key properties of 1-(2,6-dichlorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)amino]pyrazole-3-carboxamide?
1-(2,6-dichlorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)amino]pyrazole-3-carboxamide has a molecular weight of 352.19 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)amino]pyrazole-3-carboxamide is sourced from PubChem (CID 162440656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).