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

C9H8F3N7O — CID 114567674

IUPAC1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
SMILESNNc1nc(-n2cc(C(N)=O)cn2)cc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N7O/c10-9(11,12)5-1-6(17-8(16-5)18-14)19-3-4(2-15-19)7(13)20/h1-3H,14H2,(H2,13,20)(H,16,17,18)
InChIKeyURYSYFHKMWZNKN-UHFFFAOYSA-N
MW287.21 g/mol
LogP0.07
Rot. Bonds3

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

1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide (PubChem CID 114567674) has the molecular formula C9H8F3N7O and a molecular weight of 287.21 g/mol. Its IUPAC name is 1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
PubChem CID114567674
Molecular FormulaC9H8F3N7O
Molecular Weight287.21 g/mol
Exact Mass287.07
IUPAC Name1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
SMILESNNc1nc(-n2cc(C(N)=O)cn2)cc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N7O/c10-9(11,12)5-1-6(17-8(16-5)18-14)19-3-4(2-15-19)7(13)20/h1-3H,14H2,(H2,13,20)(H,16,17,18)
InChIKeyURYSYFHKMWZNKN-UHFFFAOYSA-N
XLogP0.07
TPSA124.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 50.07
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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Related Compounds

[4-(4-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567659
1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 102721195
N-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566111
1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide
CID 80902996
1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide
CID 80938506
1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxamide
CID 103335986
4-(4-iodopyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566114
4-(4-chloropyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566071
1-(5,6-diamino-2-pyridinyl)pyrazole-4-carboxamide
CID 79827053
1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 64782151
2-[4-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 114566945
1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carboxamide
CID 80867917

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide (CID 114567674) is 1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide is NNc1nc(-n2cc(C(N)=O)cn2)cc(C(F)(F)F)n1.
What is the InChIKey of 1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is URYSYFHKMWZNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N7O/c10-9(11,12)5-1-6(17-8(16-5)18-14)19-3-4(2-15-19)7(13)20/h1-3H,14H2,(H2,13,20)(H,16,17,18).
What are the key properties of 1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide?
1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 287.21 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 114567674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).