3-(3-fluorophenyl)-N-(5-hydroxy-3-methylpentyl)-1H-indazole-5-carboxamide

C20H22FN3O2 — CID 175236372

IUPAC3-(3-fluorophenyl)-N-(5-hydroxy-3-methylpentyl)-1H-indazole-5-carboxamide
SMILESCC(CCO)CCNC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1
InChIInChI=1S/C20H22FN3O2/c1-13(8-10-25)7-9-22-20(26)15-5-6-18-17(12-15)19(24-23-18)14-3-2-4-16(21)11-14/h2-6,11-13,25H,7-10H2,1H3,(H,22,26)(H,23,24)
InChIKeyZXJYDGJQBKJYRU-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.51
Rot. Bonds7

About 3-(3-fluorophenyl)-N-(5-hydroxy-3-methylpentyl)-1H-indazole-5-carboxamide

3-(3-fluorophenyl)-N-(5-hydroxy-3-methylpentyl)-1H-indazole-5-carboxamide (PubChem CID 175236372) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(5-hydroxy-3-methylpentyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(5-hydroxy-3-methylpentyl)-1H-indazole-5-carboxamide
PubChem CID175236372
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name3-(3-fluorophenyl)-N-(5-hydroxy-3-methylpentyl)-1H-indazole-5-carboxamide
SMILESCC(CCO)CCNC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1
InChIInChI=1S/C20H22FN3O2/c1-13(8-10-25)7-9-22-20(26)15-5-6-18-17(12-15)19(24-23-18)14-3-2-4-16(21)11-14/h2-6,11-13,25H,7-10H2,1H3,(H,22,26)(H,23,24)
InChIKeyZXJYDGJQBKJYRU-UHFFFAOYSA-N
XLogP3.51
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-(3-hydroxypropyl)-1H-indazole-5-carboxamide
CID 20789056
methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate
CID 22260721
N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide
CID 22260912
3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 22260682
tert-butyl 3-[[3-(4-fluorophenyl)-1H-indazole-5-carbonyl]amino]propanoate
CID 22480139
N-(6-ethenyl-1-hydroxycyclohexa-2,4-dien-1-yl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide
CID 174425958
2-[3-(3-fluorophenyl)-1H-indazol-5-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22260918
N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxamide
CID 135617784
3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 23589685
3-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)-6-methyl-1H-indazole-5-carboxamide
CID 23589708
3-cyano-N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]benzamide
CID 22261045
N-[2-(methylamino)ethyl]-3-(5-phenyl-1H-imidazol-2-yl)-1H-indazole-5-carboxamide
CID 171830421

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(5-hydroxy-3-methylpentyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(5-hydroxy-3-methylpentyl)-1H-indazole-5-carboxamide (CID 175236372) is 3-(3-fluorophenyl)-N-(5-hydroxy-3-methylpentyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(5-hydroxy-3-methylpentyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(5-hydroxy-3-methylpentyl)-1H-indazole-5-carboxamide is CC(CCO)CCNC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(5-hydroxy-3-methylpentyl)-1H-indazole-5-carboxamide?
The InChIKey is ZXJYDGJQBKJYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-13(8-10-25)7-9-22-20(26)15-5-6-18-17(12-15)19(24-23-18)14-3-2-4-16(21)11-14/h2-6,11-13,25H,7-10H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 3-(3-fluorophenyl)-N-(5-hydroxy-3-methylpentyl)-1H-indazole-5-carboxamide?
3-(3-fluorophenyl)-N-(5-hydroxy-3-methylpentyl)-1H-indazole-5-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(5-hydroxy-3-methylpentyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 175236372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).