1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-5-yl)urea

C14H10FN5O3 — CID 4574694

IUPAC1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-5-yl)urea
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H10FN5O3/c15-11-3-1-10(6-13(11)20(22)23)18-14(21)17-9-2-4-12-8(5-9)7-16-19-12/h1-7H,(H,16,19)(H2,17,18,21)
InChIKeyPRMOGLTWXKVGRS-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.25
Rot. Bonds3

About 1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-5-yl)urea

1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-5-yl)urea (PubChem CID 4574694) has the molecular formula C14H10FN5O3 and a molecular weight of 315.26 g/mol. Its IUPAC name is 1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-5-yl)urea.

Molecular Properties

Compound Name1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-5-yl)urea
PubChem CID4574694
Molecular FormulaC14H10FN5O3
Molecular Weight315.26 g/mol
Exact Mass315.08
IUPAC Name1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-5-yl)urea
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H10FN5O3/c15-11-3-1-10(6-13(11)20(22)23)18-14(21)17-9-2-4-12-8(5-9)7-16-19-12/h1-7H,(H,16,19)(H2,17,18,21)
InChIKeyPRMOGLTWXKVGRS-UHFFFAOYSA-N
XLogP3.25
TPSA112.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-5-yl)urea?
The IUPAC name of 1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-5-yl)urea (CID 4574694) is 1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-5-yl)urea.
What is the SMILES notation for 1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-5-yl)urea?
The canonical SMILES for 1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-5-yl)urea is O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-5-yl)urea?
The InChIKey is PRMOGLTWXKVGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O3/c15-11-3-1-10(6-13(11)20(22)23)18-14(21)17-9-2-4-12-8(5-9)7-16-19-12/h1-7H,(H,16,19)(H2,17,18,21).
What are the key properties of 1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-5-yl)urea?
1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-5-yl)urea has a molecular weight of 315.26 g/mol, XLogP of 3.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-5-yl)urea is sourced from PubChem (CID 4574694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).