4-(2H-pyran-3-carbonylamino)-1H-pyrazole-5-carbonyl fluoride

C10H8FN3O3 — CID 143263285

IUPAC4-(2H-pyran-3-carbonylamino)-1H-pyrazole-5-carbonyl fluoride
SMILESO=C(Nc1cn[nH]c1C(=O)F)C1=CC=COC1
InChIInChI=1S/C10H8FN3O3/c11-9(15)8-7(4-12-14-8)13-10(16)6-2-1-3-17-5-6/h1-4H,5H2,(H,12,14)(H,13,16)
InChIKeyGWXKZRWFIWYGTB-UHFFFAOYSA-N
MW237.19 g/mol
LogP0.93
Rot. Bonds3

About 4-(2H-pyran-3-carbonylamino)-1H-pyrazole-5-carbonyl fluoride

4-(2H-pyran-3-carbonylamino)-1H-pyrazole-5-carbonyl fluoride (PubChem CID 143263285) has the molecular formula C10H8FN3O3 and a molecular weight of 237.19 g/mol. Its IUPAC name is 4-(2H-pyran-3-carbonylamino)-1H-pyrazole-5-carbonyl fluoride.

Molecular Properties

Compound Name4-(2H-pyran-3-carbonylamino)-1H-pyrazole-5-carbonyl fluoride
PubChem CID143263285
Molecular FormulaC10H8FN3O3
Molecular Weight237.19 g/mol
Exact Mass237.05
IUPAC Name4-(2H-pyran-3-carbonylamino)-1H-pyrazole-5-carbonyl fluoride
SMILESO=C(Nc1cn[nH]c1C(=O)F)C1=CC=COC1
InChIInChI=1S/C10H8FN3O3/c11-9(15)8-7(4-12-14-8)13-10(16)6-2-1-3-17-5-6/h1-4H,5H2,(H,12,14)(H,13,16)
InChIKeyGWXKZRWFIWYGTB-UHFFFAOYSA-N
XLogP0.93
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

4-[(2,7-difluorocyclohepta-1,4,6-triene-1-carbonyl)amino]-1H-pyrazole-5-carboxamide
CID 143263402
N-(4-fluorocyclohexa-1,5-dien-1-yl)-4-(3-hydroxypropanoylamino)-1H-pyrazole-5-carboxamide
CID 148855040
2,6-difluoro-N-(5-formyl-1H-pyrazol-4-yl)cyclohepta-2,4,6-triene-1-carboxamide
CID 143263413
2,6-difluoro-N-(5-formyl-1H-pyrazol-4-yl)cyclohepta-1,3,5-triene-1-carboxamide
CID 143263537
N-(5-formyl-1H-pyrazol-4-yl)-2-methoxycyclohepta-1,3,6-triene-1-carboxamide
CID 143263819

Frequently Asked Questions

What is the IUPAC name of 4-(2H-pyran-3-carbonylamino)-1H-pyrazole-5-carbonyl fluoride?
The IUPAC name of 4-(2H-pyran-3-carbonylamino)-1H-pyrazole-5-carbonyl fluoride (CID 143263285) is 4-(2H-pyran-3-carbonylamino)-1H-pyrazole-5-carbonyl fluoride.
What is the SMILES notation for 4-(2H-pyran-3-carbonylamino)-1H-pyrazole-5-carbonyl fluoride?
The canonical SMILES for 4-(2H-pyran-3-carbonylamino)-1H-pyrazole-5-carbonyl fluoride is O=C(Nc1cn[nH]c1C(=O)F)C1=CC=COC1.
What is the InChIKey of 4-(2H-pyran-3-carbonylamino)-1H-pyrazole-5-carbonyl fluoride?
The InChIKey is GWXKZRWFIWYGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O3/c11-9(15)8-7(4-12-14-8)13-10(16)6-2-1-3-17-5-6/h1-4H,5H2,(H,12,14)(H,13,16).
What are the key properties of 4-(2H-pyran-3-carbonylamino)-1H-pyrazole-5-carbonyl fluoride?
4-(2H-pyran-3-carbonylamino)-1H-pyrazole-5-carbonyl fluoride has a molecular weight of 237.19 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-pyran-3-carbonylamino)-1H-pyrazole-5-carbonyl fluoride is sourced from PubChem (CID 143263285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).