N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide

C11H13N5O — CID 34852356

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
SMILESCc1c(CNC(=O)c2cnccn2)cnn1C
InChIInChI=1S/C11H13N5O/c1-8-9(6-15-16(8)2)5-14-11(17)10-7-12-3-4-13-10/h3-4,6-7H,5H2,1-2H3,(H,14,17)
InChIKeyCULQZTWIYYCOJW-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.45
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide (PubChem CID 34852356) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
PubChem CID34852356
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
SMILESCc1c(CNC(=O)c2cnccn2)cnn1C
InChIInChI=1S/C11H13N5O/c1-8-9(6-15-16(8)2)5-14-11(17)10-7-12-3-4-13-10/h3-4,6-7H,5H2,1-2H3,(H,14,17)
InChIKeyCULQZTWIYYCOJW-UHFFFAOYSA-N
XLogP0.45
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide (CID 34852356) is N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide is Cc1c(CNC(=O)c2cnccn2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is CULQZTWIYYCOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-8-9(6-15-16(8)2)5-14-11(17)10-7-12-3-4-13-10/h3-4,6-7H,5H2,1-2H3,(H,14,17).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 34852356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).