3-(4-fluorophenyl)-N-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide

C18H13FN4O — CID 28732579

IUPAC3-(4-fluorophenyl)-N-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1c[nH]c2ccccc12)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C18H13FN4O/c19-12-7-5-11(6-8-12)15-9-16(23-22-15)18(24)21-17-10-20-14-4-2-1-3-13(14)17/h1-10,20H,(H,21,24)(H,22,23)
InChIKeyNETLBWZZPUULIZ-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.95
Rot. Bonds3

About 3-(4-fluorophenyl)-N-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide

3-(4-fluorophenyl)-N-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide (PubChem CID 28732579) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
PubChem CID28732579
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name3-(4-fluorophenyl)-N-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1c[nH]c2ccccc12)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C18H13FN4O/c19-12-7-5-11(6-8-12)15-9-16(23-22-15)18(24)21-17-10-20-14-4-2-1-3-13(14)17/h1-10,20H,(H,21,24)(H,22,23)
InChIKeyNETLBWZZPUULIZ-UHFFFAOYSA-N
XLogP3.95
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

PF-477736
CID 135565545
N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
(2R)-2-amino-2-cyclohexyl-N-[2-(1-methylpyrazol-4-yl)-9-oxo-3,10,11-triazatricyclo[6.4.1.0^{4,13]trideca-1(12),2,4,6,8(13)-pentaen-6-yl]acetamide
CID 135984730
Benzoic acid (1H-indol-3-ylmethylene)-hydrazide
CID 135495642
3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
N-{1-[(1s)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259491
N-{1-[(1r)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259555
N-[1-(3-Cyanobenzyl)-1h-Pyrazol-4-Yl]-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71267243
Gne-9822
CID 74983355
N'-((E,2E)-2-Methyl-3-phenyl-2-propenylidene)-3-(1-methyl-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 6869472
N-[1-(3-Cyanobenzyl)-1h-Pyrazol-4-Yl]-2h-Indazole-3-Carboxamide
CID 3722581
Hymenialdisine, 28w
CID 135457810

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide (CID 28732579) is 3-(4-fluorophenyl)-N-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide is O=C(Nc1c[nH]c2ccccc12)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is NETLBWZZPUULIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c19-12-7-5-11(6-8-12)15-9-16(23-22-15)18(24)21-17-10-20-14-4-2-1-3-13(14)17/h1-10,20H,(H,21,24)(H,22,23).
What are the key properties of 3-(4-fluorophenyl)-N-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 320.33 g/mol, XLogP of 3.95, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 28732579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).