5-bromo-N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]furan-2-carboxamide

C19H17BrN4O3 — CID 53196082

IUPAC5-bromo-N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]furan-2-carboxamide
SMILESCCn1c(-c2cc(NC(=O)c3ccc(Br)o3)n[nH]2)cc2c(OC)cccc21
InChIInChI=1S/C19H17BrN4O3/c1-3-24-13-5-4-6-15(26-2)11(13)9-14(24)12-10-18(23-22-12)21-19(25)16-7-8-17(20)27-16/h4-10H,3H2,1-2H3,(H2,21,22,23,25)
InChIKeyZQJSITUCFUZSAI-UHFFFAOYSA-N
MW429.27 g/mol
LogP4.67
Rot. Bonds5

About 5-bromo-N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]furan-2-carboxamide

5-bromo-N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]furan-2-carboxamide (PubChem CID 53196082) has the molecular formula C19H17BrN4O3 and a molecular weight of 429.27 g/mol. Its IUPAC name is 5-bromo-N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]furan-2-carboxamide
PubChem CID53196082
Molecular FormulaC19H17BrN4O3
Molecular Weight429.27 g/mol
Exact Mass428.05
IUPAC Name5-bromo-N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]furan-2-carboxamide
SMILESCCn1c(-c2cc(NC(=O)c3ccc(Br)o3)n[nH]2)cc2c(OC)cccc21
InChIInChI=1S/C19H17BrN4O3/c1-3-24-13-5-4-6-15(26-2)11(13)9-14(24)12-10-18(23-22-12)21-19(25)16-7-8-17(20)27-16/h4-10H,3H2,1-2H3,(H2,21,22,23,25)
InChIKeyZQJSITUCFUZSAI-UHFFFAOYSA-N
XLogP4.67
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.27
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide
CID 53196135
N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
CID 53196096
N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenylmethoxyacetamide
CID 50848619
N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]furan-2-carboxamide
CID 53195881
N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
CID 53196168
N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxyacetamide
CID 53195937
N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-3,5-dimethoxybenzamide
CID 53195961
5-bromo-N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 53196151
N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-3,5-dimethoxybenzamide
CID 53196029
4-bromo-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide
CID 53196047
3,4-diethoxy-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide
CID 53196058
N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-4-carboxamide
CID 53196167

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]furan-2-carboxamide (CID 53196082) is 5-bromo-N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]furan-2-carboxamide is CCn1c(-c2cc(NC(=O)c3ccc(Br)o3)n[nH]2)cc2c(OC)cccc21.
What is the InChIKey of 5-bromo-N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]furan-2-carboxamide?
The InChIKey is ZQJSITUCFUZSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O3/c1-3-24-13-5-4-6-15(26-2)11(13)9-14(24)12-10-18(23-22-12)21-19(25)16-7-8-17(20)27-16/h4-10H,3H2,1-2H3,(H2,21,22,23,25).
What are the key properties of 5-bromo-N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]furan-2-carboxamide?
5-bromo-N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 429.27 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 53196082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).