N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide

C12H15N5O — CID 35525163

IUPACN-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1cnccn1
InChIInChI=1S/C12H15N5O/c1-8-10(9(2)17(3)16-8)6-15-12(18)11-7-13-4-5-14-11/h4-5,7H,6H2,1-3H3,(H,15,18)
InChIKeyXWYNPEYDSBMTQH-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.76
Rot. Bonds3

About N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide

N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide (PubChem CID 35525163) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
PubChem CID35525163
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1cnccn1
InChIInChI=1S/C12H15N5O/c1-8-10(9(2)17(3)16-8)6-15-12(18)11-7-13-4-5-14-11/h4-5,7H,6H2,1-3H3,(H,15,18)
InChIKeyXWYNPEYDSBMTQH-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 27882833
4-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 79231660
N-[(1,2-dimethylindol-3-yl)methyl]pyrazine-2-carboxamide
CID 110794096
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
CID 110794826
5-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 79038700
3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 110474855
4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79036409
3-[3-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623635
2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 79237744
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 79036410
4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 110444483

Frequently Asked Questions

What is the IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide (CID 35525163) is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide is Cc1nn(C)c(C)c1CNC(=O)c1cnccn1.
What is the InChIKey of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is XWYNPEYDSBMTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-10(9(2)17(3)16-8)6-15-12(18)11-7-13-4-5-14-11/h4-5,7H,6H2,1-3H3,(H,15,18).
What are the key properties of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide?
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 35525163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).