6-bromo-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide

C20H17BrN4O — CID 55559294

IUPAC6-bromo-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C20H17BrN4O/c1-24(12-14-11-22-25(13-14)17-5-3-2-4-6-17)20(26)19-9-15-7-8-16(21)10-18(15)23-19/h2-11,13,23H,12H2,1H3
InChIKeyLFOKTRKSDNEQEZ-UHFFFAOYSA-N
MW409.29 g/mol
LogP4.39
Rot. Bonds4

About 6-bromo-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide

6-bromo-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 55559294) has the molecular formula C20H17BrN4O and a molecular weight of 409.29 g/mol. Its IUPAC name is 6-bromo-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide
PubChem CID55559294
Molecular FormulaC20H17BrN4O
Molecular Weight409.29 g/mol
Exact Mass408.06
IUPAC Name6-bromo-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C20H17BrN4O/c1-24(12-14-11-22-25(13-14)17-5-3-2-4-6-17)20(26)19-9-15-7-8-16(21)10-18(15)23-19/h2-11,13,23H,12H2,1H3
InChIKeyLFOKTRKSDNEQEZ-UHFFFAOYSA-N
XLogP4.39
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 17449715
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
1-(4-bromophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 55521841
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950370
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 51237804
(2S)-2-(4-bromophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8950804
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
4-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950596
3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8961933
2,3,5-trichloro-6-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 112813676

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-bromo-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide (CID 55559294) is 6-bromo-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-bromo-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-bromo-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is LFOKTRKSDNEQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O/c1-24(12-14-11-22-25(13-14)17-5-3-2-4-6-17)20(26)19-9-15-7-8-16(21)10-18(15)23-19/h2-11,13,23H,12H2,1H3.
What are the key properties of 6-bromo-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide?
6-bromo-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 409.29 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55559294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).