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

C16H17ClN6O — CID 90394496

IUPAC3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide
SMILESCc1cc(-c2cnc(NC(=O)c3c(Cl)c(C)cn3C)cn2)n(C)n1
InChIInChI=1S/C16H17ClN6O/c1-9-8-22(3)15(14(9)17)16(24)20-13-7-18-11(6-19-13)12-5-10(2)21-23(12)4/h5-8H,1-4H3,(H,19,20,24)
InChIKeyDEODMVNCLXPOSZ-UHFFFAOYSA-N
MW344.81 g/mol
LogP2.74
Rot. Bonds3

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

3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide (PubChem CID 90394496) has the molecular formula C16H17ClN6O and a molecular weight of 344.81 g/mol. Its IUPAC name is 3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide
PubChem CID90394496
Molecular FormulaC16H17ClN6O
Molecular Weight344.81 g/mol
Exact Mass344.12
IUPAC Name3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide
SMILESCc1cc(-c2cnc(NC(=O)c3c(Cl)c(C)cn3C)cn2)n(C)n1
InChIInChI=1S/C16H17ClN6O/c1-9-8-22(3)15(14(9)17)16(24)20-13-7-18-11(6-19-13)12-5-10(2)21-23(12)4/h5-8H,1-4H3,(H,19,20,24)
InChIKeyDEODMVNCLXPOSZ-UHFFFAOYSA-N
XLogP2.74
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 52.74
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]-1,4-dimethylpyrrole-2-carboxamide?
The IUPAC name of 3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide (CID 90394496) is 3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide is Cc1cc(-c2cnc(NC(=O)c3c(Cl)c(C)cn3C)cn2)n(C)n1.
What is the InChIKey of 3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide?
The InChIKey is DEODMVNCLXPOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O/c1-9-8-22(3)15(14(9)17)16(24)20-13-7-18-11(6-19-13)12-5-10(2)21-23(12)4/h5-8H,1-4H3,(H,19,20,24).
What are the key properties of 3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide?
3-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide has a molecular weight of 344.81 g/mol, XLogP of 2.74, 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]-1,4-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 90394496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).