N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrazine-2-carboxamide

C12H15N5O — CID 138992151

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrazine-2-carboxamide
SMILESCCc1nn(C)cc1NC(=O)c1cnc(C)cn1
InChIInChI=1S/C12H15N5O/c1-4-9-11(7-17(3)16-9)15-12(18)10-6-13-8(2)5-14-10/h5-7H,4H2,1-3H3,(H,15,18)
InChIKeyKLKZFXSWRACVDO-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.33
Rot. Bonds3

About N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrazine-2-carboxamide

N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrazine-2-carboxamide (PubChem CID 138992151) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrazine-2-carboxamide
PubChem CID138992151
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrazine-2-carboxamide
SMILESCCc1nn(C)cc1NC(=O)c1cnc(C)cn1
InChIInChI=1S/C12H15N5O/c1-4-9-11(7-17(3)16-9)15-12(18)10-6-13-8(2)5-14-10/h5-7H,4H2,1-3H3,(H,15,18)
InChIKeyKLKZFXSWRACVDO-UHFFFAOYSA-N
XLogP1.33
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrazine-2-carboxamide (CID 138992151) is N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrazine-2-carboxamide is CCc1nn(C)cc1NC(=O)c1cnc(C)cn1.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrazine-2-carboxamide?
The InChIKey is KLKZFXSWRACVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-4-9-11(7-17(3)16-9)15-12(18)10-6-13-8(2)5-14-10/h5-7H,4H2,1-3H3,(H,15,18).
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrazine-2-carboxamide?
N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrazine-2-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 138992151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).