3-bromo-1-methyl-N-(2-pyrazol-1-ylphenyl)indole-2-carboxamide

C19H15BrN4O — CID 55932053

IUPAC3-bromo-1-methyl-N-(2-pyrazol-1-ylphenyl)indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2-n2cccn2)c(Br)c2ccccc21
InChIInChI=1S/C19H15BrN4O/c1-23-15-9-4-2-7-13(15)17(20)18(23)19(25)22-14-8-3-5-10-16(14)24-12-6-11-21-24/h2-12H,1H3,(H,22,25)
InChIKeyFQOLJMPHWHPINA-UHFFFAOYSA-N
MW395.26 g/mol
LogP4.38
Rot. Bonds3

About 3-bromo-1-methyl-N-(2-pyrazol-1-ylphenyl)indole-2-carboxamide

3-bromo-1-methyl-N-(2-pyrazol-1-ylphenyl)indole-2-carboxamide (PubChem CID 55932053) has the molecular formula C19H15BrN4O and a molecular weight of 395.26 g/mol. Its IUPAC name is 3-bromo-1-methyl-N-(2-pyrazol-1-ylphenyl)indole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-1-methyl-N-(2-pyrazol-1-ylphenyl)indole-2-carboxamide
PubChem CID55932053
Molecular FormulaC19H15BrN4O
Molecular Weight395.26 g/mol
Exact Mass394.04
IUPAC Name3-bromo-1-methyl-N-(2-pyrazol-1-ylphenyl)indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2-n2cccn2)c(Br)c2ccccc21
InChIInChI=1S/C19H15BrN4O/c1-23-15-9-4-2-7-13(15)17(20)18(23)19(25)22-14-8-3-5-10-16(14)24-12-6-11-21-24/h2-12H,1H3,(H,22,25)
InChIKeyFQOLJMPHWHPINA-UHFFFAOYSA-N
XLogP4.38
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide
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3-bromo-1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]indole-2-carboxamide
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3-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide
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CID 47234607
3-bromo-1-methylindole-2-carboxylic acid
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CID 61041740

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-N-(2-pyrazol-1-ylphenyl)indole-2-carboxamide?
The IUPAC name of 3-bromo-1-methyl-N-(2-pyrazol-1-ylphenyl)indole-2-carboxamide (CID 55932053) is 3-bromo-1-methyl-N-(2-pyrazol-1-ylphenyl)indole-2-carboxamide.
What is the SMILES notation for 3-bromo-1-methyl-N-(2-pyrazol-1-ylphenyl)indole-2-carboxamide?
The canonical SMILES for 3-bromo-1-methyl-N-(2-pyrazol-1-ylphenyl)indole-2-carboxamide is Cn1c(C(=O)Nc2ccccc2-n2cccn2)c(Br)c2ccccc21.
What is the InChIKey of 3-bromo-1-methyl-N-(2-pyrazol-1-ylphenyl)indole-2-carboxamide?
The InChIKey is FQOLJMPHWHPINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O/c1-23-15-9-4-2-7-13(15)17(20)18(23)19(25)22-14-8-3-5-10-16(14)24-12-6-11-21-24/h2-12H,1H3,(H,22,25).
What are the key properties of 3-bromo-1-methyl-N-(2-pyrazol-1-ylphenyl)indole-2-carboxamide?
3-bromo-1-methyl-N-(2-pyrazol-1-ylphenyl)indole-2-carboxamide has a molecular weight of 395.26 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-N-(2-pyrazol-1-ylphenyl)indole-2-carboxamide is sourced from PubChem (CID 55932053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).