1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide

C8H8FN7O — CID 80902996

IUPAC1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide
SMILESNNc1ncc(F)c(-n2cc(C(N)=O)cn2)n1
InChIInChI=1S/C8H8FN7O/c9-5-2-12-8(15-11)14-7(5)16-3-4(1-13-16)6(10)17/h1-3H,11H2,(H2,10,17)(H,12,14,15)
InChIKeyUTVSYNPUGPXDGK-UHFFFAOYSA-N
MW237.20 g/mol
LogP-0.81
Rot. Bonds3

About 1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide

1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide (PubChem CID 80902996) has the molecular formula C8H8FN7O and a molecular weight of 237.20 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide
PubChem CID80902996
Molecular FormulaC8H8FN7O
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide
SMILESNNc1ncc(F)c(-n2cc(C(N)=O)cn2)n1
InChIInChI=1S/C8H8FN7O/c9-5-2-12-8(15-11)14-7(5)16-3-4(1-13-16)6(10)17/h1-3H,11H2,(H2,10,17)(H,12,14,15)
InChIKeyUTVSYNPUGPXDGK-UHFFFAOYSA-N
XLogP-0.81
TPSA124.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 5-0.81
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

5-amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 23400189
6-Formylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50989583
6-Methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15042089
7-Amino-6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 721645
[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxamide
CID 42644719
1,2-Dihydro-3H-pyrazolo(3,4-d)pyrimidin-3-one
CID 45080224
3-[[5-fluoro-2-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 25155886
6-Fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90205392
2-amino-6-fluoro-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123411545
2-Amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142772738
2-Fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 144642062
N-cyclobutyl-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 156488988

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide (CID 80902996) is 1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide is NNc1ncc(F)c(-n2cc(C(N)=O)cn2)n1.
What is the InChIKey of 1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is UTVSYNPUGPXDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN7O/c9-5-2-12-8(15-11)14-7(5)16-3-4(1-13-16)6(10)17/h1-3H,11H2,(H2,10,17)(H,12,14,15).
What are the key properties of 1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide?
1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 237.20 g/mol, XLogP of -0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 80902996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).