6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazine-2-carboxamide

C11H12ClN5O — CID 103336954

IUPAC6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazine-2-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cncc(Cl)n1
InChIInChI=1S/C11H12ClN5O/c1-6-10(7(2)17(3)16-6)15-11(18)8-4-13-5-9(12)14-8/h4-5H,1-3H3,(H,15,18)
InChIKeyPDAQTTWPLLSGHJ-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.73
Rot. Bonds2

About 6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazine-2-carboxamide

6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazine-2-carboxamide (PubChem CID 103336954) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazine-2-carboxamide
PubChem CID103336954
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazine-2-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cncc(Cl)n1
InChIInChI=1S/C11H12ClN5O/c1-6-10(7(2)17(3)16-6)15-11(18)8-4-13-5-9(12)14-8/h4-5H,1-3H3,(H,15,18)
InChIKeyPDAQTTWPLLSGHJ-UHFFFAOYSA-N
XLogP1.73
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(1,3-dimethylpyrazol-4-yl)pyrazine-2-carboxamide
CID 106551394
6-bromo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxamide
CID 113343278
N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxamide
CID 35283696
5-amino-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 61110943
3-chloro-4-iodo-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 103734754
5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide
CID 30698931
6-chloro-N-(5-methyl-2-pyridinyl)pyrazine-2-carboxamide
CID 103186850
2,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)furan-3-carboxamide
CID 24655014
2-(4-chloro-5-methylpyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 19393480
2-(4-chloropyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 19393560
6-chloro-N-(4-chloro-2-methylphenyl)pyrazine-2-carboxamide
CID 103336937
5-amino-2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 102705170

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazine-2-carboxamide (CID 103336954) is 6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazine-2-carboxamide is Cc1nn(C)c(C)c1NC(=O)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazine-2-carboxamide?
The InChIKey is PDAQTTWPLLSGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-6-10(7(2)17(3)16-6)15-11(18)8-4-13-5-9(12)14-8/h4-5H,1-3H3,(H,15,18).
What are the key properties of 6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazine-2-carboxamide?
6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazine-2-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 103336954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).