1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-6-yl)urea

C14H10FN5O3 — CID 3492370

IUPAC1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-6-yl)urea
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C14H10FN5O3/c15-11-4-3-10(6-13(11)20(22)23)18-14(21)17-9-2-1-8-7-16-19-12(8)5-9/h1-7H,(H,16,19)(H2,17,18,21)
InChIKeyNVWLSNXSOXCNSE-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.25
Rot. Bonds3

About 1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-6-yl)urea

1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-6-yl)urea (PubChem CID 3492370) 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-6-yl)urea.

Molecular Properties

Compound Name1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-6-yl)urea
PubChem CID3492370
Molecular FormulaC14H10FN5O3
Molecular Weight315.26 g/mol
Exact Mass315.08
IUPAC Name1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-6-yl)urea
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C14H10FN5O3/c15-11-4-3-10(6-13(11)20(22)23)18-14(21)17-9-2-1-8-7-16-19-12(8)5-9/h1-7H,(H,16,19)(H2,17,18,21)
InChIKeyNVWLSNXSOXCNSE-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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Related Compounds

1-[(1R,3R)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 60202428
1-[(1S,3S)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549082
1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549271
1-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549275
1-{[4-(azepan-1-yl)-3-fluorophenyl]methyl}-3-1H-indazol-4-ylurea
CID 11338019
3-1H-indazol-4-yl-1-{[4-(trifluoromethyl)phenyl]methyl}urea
CID 11416356
1-{[4-(azepan-1-yl)-3-(trifluoromethyl)phenyl]methyl}-3-1H-indazol-4-ylurea
CID 16749350
1-{[4-(azepan-1-yl)-3,5-difluorophenyl]methyl}-3-1H-indazol-4-ylurea
CID 16749351
3-1H-indazol-4-yl-1-{[3-(trifluoromethyl)phenyl]methyl}urea
CID 22337600
1-[(4-fluorophenyl)methyl]-3-(1-methyl-1H-indazol-4-yl)urea
CID 22337693
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3,5-difluorophenyl}methyl)-3-1H-indazol-4-ylurea
CID 16748373
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-2,5-difluorophenyl}methyl)-3-1H-indazol-4-ylurea
CID 16748374

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-6-yl)urea?
The IUPAC name of 1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-6-yl)urea (CID 3492370) is 1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-6-yl)urea.
What is the SMILES notation for 1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-6-yl)urea?
The canonical SMILES for 1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-6-yl)urea is O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-6-yl)urea?
The InChIKey is NVWLSNXSOXCNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O3/c15-11-4-3-10(6-13(11)20(22)23)18-14(21)17-9-2-1-8-7-16-19-12(8)5-9/h1-7H,(H,16,19)(H2,17,18,21).
What are the key properties of 1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-6-yl)urea?
1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-6-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-6-yl)urea is sourced from PubChem (CID 3492370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).