1-(3,4-dichlorophenyl)-5-methyl-N-pyrazin-2-ylpyrazole-3-carboxamide

C15H11Cl2N5O — CID 99611243

IUPAC1-(3,4-dichlorophenyl)-5-methyl-N-pyrazin-2-ylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cnccn2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2N5O/c1-9-6-13(15(23)20-14-8-18-4-5-19-14)21-22(9)10-2-3-11(16)12(17)7-10/h2-8H,1H3,(H,19,20,23)
InChIKeyBDDYGUFDGDETRU-UHFFFAOYSA-N
MW348.19 g/mol
LogP3.53
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-5-methyl-N-pyrazin-2-ylpyrazole-3-carboxamide

1-(3,4-dichlorophenyl)-5-methyl-N-pyrazin-2-ylpyrazole-3-carboxamide (PubChem CID 99611243) has the molecular formula C15H11Cl2N5O and a molecular weight of 348.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-5-methyl-N-pyrazin-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-5-methyl-N-pyrazin-2-ylpyrazole-3-carboxamide
PubChem CID99611243
Molecular FormulaC15H11Cl2N5O
Molecular Weight348.19 g/mol
Exact Mass347.03
IUPAC Name1-(3,4-dichlorophenyl)-5-methyl-N-pyrazin-2-ylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cnccn2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2N5O/c1-9-6-13(15(23)20-14-8-18-4-5-19-14)21-22(9)10-2-3-11(16)12(17)7-10/h2-8H,1H3,(H,19,20,23)
InChIKeyBDDYGUFDGDETRU-UHFFFAOYSA-N
XLogP3.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-5-methyl-N-pyrazin-2-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-5-methyl-N-pyrazin-2-ylpyrazole-3-carboxamide (CID 99611243) is 1-(3,4-dichlorophenyl)-5-methyl-N-pyrazin-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-5-methyl-N-pyrazin-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-5-methyl-N-pyrazin-2-ylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cnccn2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-5-methyl-N-pyrazin-2-ylpyrazole-3-carboxamide?
The InChIKey is BDDYGUFDGDETRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5O/c1-9-6-13(15(23)20-14-8-18-4-5-19-14)21-22(9)10-2-3-11(16)12(17)7-10/h2-8H,1H3,(H,19,20,23).
What are the key properties of 1-(3,4-dichlorophenyl)-5-methyl-N-pyrazin-2-ylpyrazole-3-carboxamide?
1-(3,4-dichlorophenyl)-5-methyl-N-pyrazin-2-ylpyrazole-3-carboxamide has a molecular weight of 348.19 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-5-methyl-N-pyrazin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 99611243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).