N-(2,5-dimethylpyrazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide

C13H18N6O — CID 107374315

IUPACN-(2,5-dimethylpyrazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)Nc2cc(C)nn2C)cn1
InChIInChI=1S/C13H18N6O/c1-4-5-14-11-8-15-10(7-16-11)13(20)17-12-6-9(2)18-19(12)3/h6-8H,4-5H2,1-3H3,(H,14,16)(H,17,20)
InChIKeyIBJSQRQVEZQVMO-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.59
Rot. Bonds5

About N-(2,5-dimethylpyrazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide

N-(2,5-dimethylpyrazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide (PubChem CID 107374315) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide
PubChem CID107374315
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)Nc2cc(C)nn2C)cn1
InChIInChI=1S/C13H18N6O/c1-4-5-14-11-8-15-10(7-16-11)13(20)17-12-6-9(2)18-19(12)3/h6-8H,4-5H2,1-3H3,(H,14,16)(H,17,20)
InChIKeyIBJSQRQVEZQVMO-UHFFFAOYSA-N
XLogP1.59
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridazine-3-carboxamide
CID 62166973
5-bromo-N-(2,5-dimethylpyrazol-3-yl)pyrazine-2-carboxamide
CID 112524897
N-(2-methyl-1,2,4-triazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376425
2-chloro-N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridine-4-carboxamide
CID 62167493
N-(6-methyl-3-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376409
N-(5-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374336
N-(1,3-dimethylpyrazol-4-yl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107377186
3-N,5-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097376
5-(propylamino)-N-(1H-pyrazol-4-yl)pyrazine-2-carboxamide
CID 107374526
1-(2,5-dimethylpyrazol-3-yl)-3-propylurea
CID 115581840
5-(butylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109272630
N-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374127

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide (CID 107374315) is N-(2,5-dimethylpyrazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)Nc2cc(C)nn2C)cn1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide?
The InChIKey is IBJSQRQVEZQVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-4-5-14-11-8-15-10(7-16-11)13(20)17-12-6-9(2)18-19(12)3/h6-8H,4-5H2,1-3H3,(H,14,16)(H,17,20).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107374315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).