1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide

C10H13N7O — CID 80938506

IUPAC1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide
SMILESCCc1nc(NN)cc(-n2cc(C(N)=O)cn2)n1
InChIInChI=1S/C10H13N7O/c1-2-7-14-8(16-12)3-9(15-7)17-5-6(4-13-17)10(11)18/h3-5H,2,12H2,1H3,(H2,11,18)(H,14,15,16)
InChIKeyTYESLAIMQWJNRM-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.39
Rot. Bonds4

About 1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide

1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide (PubChem CID 80938506) has the molecular formula C10H13N7O and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide
PubChem CID80938506
Molecular FormulaC10H13N7O
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide
SMILESCCc1nc(NN)cc(-n2cc(C(N)=O)cn2)n1
InChIInChI=1S/C10H13N7O/c1-2-7-14-8(16-12)3-9(15-7)17-5-6(4-13-17)10(11)18/h3-5H,2,12H2,1H3,(H2,11,18)(H,14,15,16)
InChIKeyTYESLAIMQWJNRM-UHFFFAOYSA-N
XLogP-0.39
TPSA124.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide (CID 80938506) is 1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide is CCc1nc(NN)cc(-n2cc(C(N)=O)cn2)n1.
What is the InChIKey of 1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is TYESLAIMQWJNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O/c1-2-7-14-8(16-12)3-9(15-7)17-5-6(4-13-17)10(11)18/h3-5H,2,12H2,1H3,(H2,11,18)(H,14,15,16).
What are the key properties of 1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide?
1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 247.26 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 80938506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).