1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C10H9F3N6O — CID 102721195

IUPAC1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESNNc1cc(C(F)(F)F)cc(-n2cc(C(N)=O)cn2)n1
InChIInChI=1S/C10H9F3N6O/c11-10(12,13)6-1-7(18-15)17-8(2-6)19-4-5(3-16-19)9(14)20/h1-4H,15H2,(H2,14,20)(H,17,18)
InChIKeyUDIXISNEBOCASW-UHFFFAOYSA-N
MW286.22 g/mol
LogP0.67
Rot. Bonds3

About 1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 102721195) has the molecular formula C10H9F3N6O and a molecular weight of 286.22 g/mol. Its IUPAC name is 1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID102721195
Molecular FormulaC10H9F3N6O
Molecular Weight286.22 g/mol
Exact Mass286.08
IUPAC Name1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESNNc1cc(C(F)(F)F)cc(-n2cc(C(N)=O)cn2)n1
InChIInChI=1S/C10H9F3N6O/c11-10(12,13)6-1-7(18-15)17-8(2-6)19-4-5(3-16-19)9(14)20/h1-4H,15H2,(H2,14,20)(H,17,18)
InChIKeyUDIXISNEBOCASW-UHFFFAOYSA-N
XLogP0.67
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[6-(4-methylpyrazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721177
1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 114567674
1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 102721196
1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide
CID 80938506
3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 102720469
1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carboxamide
CID 80867917
1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide
CID 80902996
2-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 102721077
1-(5,6-diamino-2-pyridinyl)pyrazole-4-carboxamide
CID 79827053
2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea
CID 102721067
1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 64782151
1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]pyrazole-4-carboxamide
CID 156852738

Frequently Asked Questions

What is the IUPAC name of 1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 102721195) is 1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is NNc1cc(C(F)(F)F)cc(-n2cc(C(N)=O)cn2)n1.
What is the InChIKey of 1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is UDIXISNEBOCASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N6O/c11-10(12,13)6-1-7(18-15)17-8(2-6)19-4-5(3-16-19)9(14)20/h1-4H,15H2,(H2,14,20)(H,17,18).
What are the key properties of 1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 286.22 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 102721195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).