5-fluoro-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide

C19H16FN5O — CID 123227410

IUPAC5-fluoro-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
SMILESCc1cccc(Cn2cc(NC(=O)c3n[nH]c4ccc(F)cc34)cn2)c1
InChIInChI=1S/C19H16FN5O/c1-12-3-2-4-13(7-12)10-25-11-15(9-21-25)22-19(26)18-16-8-14(20)5-6-17(16)23-24-18/h2-9,11H,10H2,1H3,(H,22,26)(H,23,24)
InChIKeyMZAMAUSZNILGNR-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.51
Rot. Bonds4

About 5-fluoro-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide

5-fluoro-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide (PubChem CID 123227410) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 5-fluoro-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
PubChem CID123227410
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name5-fluoro-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
SMILESCc1cccc(Cn2cc(NC(=O)c3n[nH]c4ccc(F)cc34)cn2)c1
InChIInChI=1S/C19H16FN5O/c1-12-3-2-4-13(7-12)10-25-11-15(9-21-25)22-19(26)18-16-8-14(20)5-6-17(16)23-24-18/h2-9,11H,10H2,1H3,(H,22,26)(H,23,24)
InChIKeyMZAMAUSZNILGNR-UHFFFAOYSA-N
XLogP3.51
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
5F-Cumyl-PINACA
CID 86274158
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
Adb-fubinaca
CID 58124399
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-[1-(3-Cyanobenzyl)-1h-Pyrazol-4-Yl]-2h-Indazole-3-Carboxamide
CID 3722581
1,4-Dihydro-1'-(1H-indazol-5-ylcarbonyl)-1-(1-methylethyl)spiro(5H-indazole-5,4'-piperidin)-7(6H)-one
CID 52934178
N-(3,4-difluorophenyl)-1-methylindazole-5-carboxamide
CID 77844720
N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458694

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-fluoro-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide (CID 123227410) is 5-fluoro-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide is Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4ccc(F)cc34)cn2)c1.
What is the InChIKey of 5-fluoro-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The InChIKey is MZAMAUSZNILGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-12-3-2-4-13(7-12)10-25-11-15(9-21-25)22-19(26)18-16-8-14(20)5-6-17(16)23-24-18/h2-9,11H,10H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 5-fluoro-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
5-fluoro-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 123227410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).