4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide

C15H16ClN7O — CID 90394509

IUPAC4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1cc(-c2cnc(NC(=O)c3c(Cl)c(C)nn3C)cn2)n(C)n1
InChIInChI=1S/C15H16ClN7O/c1-8-5-11(22(3)20-8)10-6-18-12(7-17-10)19-15(24)14-13(16)9(2)21-23(14)4/h5-7H,1-4H3,(H,18,19,24)
InChIKeyXIODRLDUBNMGTF-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.13
Rot. Bonds3

About 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide

4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 90394509) has the molecular formula C15H16ClN7O and a molecular weight of 345.79 g/mol. Its IUPAC name is 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID90394509
Molecular FormulaC15H16ClN7O
Molecular Weight345.79 g/mol
Exact Mass345.11
IUPAC Name4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1cc(-c2cnc(NC(=O)c3c(Cl)c(C)nn3C)cn2)n(C)n1
InChIInChI=1S/C15H16ClN7O/c1-8-5-11(22(3)20-8)10-6-18-12(7-17-10)19-15(24)14-13(16)9(2)21-23(14)4/h5-7H,1-4H3,(H,18,19,24)
InChIKeyXIODRLDUBNMGTF-UHFFFAOYSA-N
XLogP2.13
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide (CID 90394509) is 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide is Cc1cc(-c2cnc(NC(=O)c3c(Cl)c(C)nn3C)cn2)n(C)n1.
What is the InChIKey of 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is XIODRLDUBNMGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN7O/c1-8-5-11(22(3)20-8)10-6-18-12(7-17-10)19-15(24)14-13(16)9(2)21-23(14)4/h5-7H,1-4H3,(H,18,19,24).
What are the key properties of 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide?
4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 90394509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).