N-(3,5-dichlorophenyl)-5-(3-methylpyrazin-2-yl)pyrazole-1-carboxamide

C15H11Cl2N5O — CID 2741309

IUPACN-(3,5-dichlorophenyl)-5-(3-methylpyrazin-2-yl)pyrazole-1-carboxamide
SMILESCc1nccnc1-c1ccnn1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H11Cl2N5O/c1-9-14(19-5-4-18-9)13-2-3-20-22(13)15(23)21-12-7-10(16)6-11(17)8-12/h2-8H,1H3,(H,21,23)
InChIKeyHVPHGFUCYUEUTB-UHFFFAOYSA-N
MW348.19 g/mol
LogP4.04
Rot. Bonds2

About N-(3,5-dichlorophenyl)-5-(3-methylpyrazin-2-yl)pyrazole-1-carboxamide

N-(3,5-dichlorophenyl)-5-(3-methylpyrazin-2-yl)pyrazole-1-carboxamide (PubChem CID 2741309) has the molecular formula C15H11Cl2N5O and a molecular weight of 348.19 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-5-(3-methylpyrazin-2-yl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-5-(3-methylpyrazin-2-yl)pyrazole-1-carboxamide
PubChem CID2741309
Molecular FormulaC15H11Cl2N5O
Molecular Weight348.19 g/mol
Exact Mass347.03
IUPAC NameN-(3,5-dichlorophenyl)-5-(3-methylpyrazin-2-yl)pyrazole-1-carboxamide
SMILESCc1nccnc1-c1ccnn1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H11Cl2N5O/c1-9-14(19-5-4-18-9)13-2-3-20-22(13)15(23)21-12-7-10(16)6-11(17)8-12/h2-8H,1H3,(H,21,23)
InChIKeyHVPHGFUCYUEUTB-UHFFFAOYSA-N
XLogP4.04
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-5-(3-methylpyrazin-2-yl)pyrazole-1-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-5-(3-methylpyrazin-2-yl)pyrazole-1-carboxamide (CID 2741309) is N-(3,5-dichlorophenyl)-5-(3-methylpyrazin-2-yl)pyrazole-1-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-5-(3-methylpyrazin-2-yl)pyrazole-1-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-5-(3-methylpyrazin-2-yl)pyrazole-1-carboxamide is Cc1nccnc1-c1ccnn1C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-5-(3-methylpyrazin-2-yl)pyrazole-1-carboxamide?
The InChIKey is HVPHGFUCYUEUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5O/c1-9-14(19-5-4-18-9)13-2-3-20-22(13)15(23)21-12-7-10(16)6-11(17)8-12/h2-8H,1H3,(H,21,23).
What are the key properties of N-(3,5-dichlorophenyl)-5-(3-methylpyrazin-2-yl)pyrazole-1-carboxamide?
N-(3,5-dichlorophenyl)-5-(3-methylpyrazin-2-yl)pyrazole-1-carboxamide has a molecular weight of 348.19 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-5-(3-methylpyrazin-2-yl)pyrazole-1-carboxamide is sourced from PubChem (CID 2741309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).