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

C15H15ClN6O — CID 90394497

IUPAC3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide
SMILESCc1cc(-c2cnc(NC(=O)c3c(Cl)ccn3C)cn2)n(C)n1
InChIInChI=1S/C15H15ClN6O/c1-9-6-12(22(3)20-9)11-7-18-13(8-17-11)19-15(23)14-10(16)4-5-21(14)2/h4-8H,1-3H3,(H,18,19,23)
InChIKeyPXCMNONZCMTXAL-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.43
Rot. Bonds3

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

3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide (PubChem CID 90394497) has the molecular formula C15H15ClN6O and a molecular weight of 330.78 g/mol. Its IUPAC name is 3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide
PubChem CID90394497
Molecular FormulaC15H15ClN6O
Molecular Weight330.78 g/mol
Exact Mass330.10
IUPAC Name3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide
SMILESCc1cc(-c2cnc(NC(=O)c3c(Cl)ccn3C)cn2)n(C)n1
InChIInChI=1S/C15H15ClN6O/c1-9-6-12(22(3)20-9)11-7-18-13(8-17-11)19-15(23)14-10(16)4-5-21(14)2/h4-8H,1-3H3,(H,18,19,23)
InChIKeyPXCMNONZCMTXAL-UHFFFAOYSA-N
XLogP2.43
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide (CID 90394497) is 3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide is Cc1cc(-c2cnc(NC(=O)c3c(Cl)ccn3C)cn2)n(C)n1.
What is the InChIKey of 3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide?
The InChIKey is PXCMNONZCMTXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O/c1-9-6-12(22(3)20-9)11-7-18-13(8-17-11)19-15(23)14-10(16)4-5-21(14)2/h4-8H,1-3H3,(H,18,19,23).
What are the key properties of 3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide?
3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide has a molecular weight of 330.78 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 90394497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).