N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-methylbenzamide

C22H22N4O — CID 53196042

IUPACN-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-methylbenzamide
SMILESCCn1c(-c2cc(NC(=O)c3ccccc3C)n[nH]2)c(C)c2ccccc21
InChIInChI=1S/C22H22N4O/c1-4-26-19-12-8-7-11-17(19)15(3)21(26)18-13-20(25-24-18)23-22(27)16-10-6-5-9-14(16)2/h5-13H,4H2,1-3H3,(H2,23,24,25,27)
InChIKeyNRNTVHSQXODSAF-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.92
Rot. Bonds4

About N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-methylbenzamide

N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-methylbenzamide (PubChem CID 53196042) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-methylbenzamide
PubChem CID53196042
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-methylbenzamide
SMILESCCn1c(-c2cc(NC(=O)c3ccccc3C)n[nH]2)c(C)c2ccccc21
InChIInChI=1S/C22H22N4O/c1-4-26-19-12-8-7-11-17(19)15(3)21(26)18-13-20(25-24-18)23-22(27)16-10-6-5-9-14(16)2/h5-13H,4H2,1-3H3,(H2,23,24,25,27)
InChIKeyNRNTVHSQXODSAF-UHFFFAOYSA-N
XLogP4.92
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-fluorobenzamide
CID 53196031
4-bromo-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide
CID 53196047
N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-3,5-dimethoxybenzamide
CID 53196029
3,4-diethoxy-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide
CID 53196058
N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-thiophen-2-ylacetamide
CID 53196056
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide
CID 855627
1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
CID 110501570
1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide
CID 110501576
N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501475
1-ethyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide
CID 110501591
2-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 60975112
N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]furan-2-carboxamide
CID 53195881

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-methylbenzamide?
The IUPAC name of N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-methylbenzamide (CID 53196042) is N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-methylbenzamide?
The canonical SMILES for N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-methylbenzamide is CCn1c(-c2cc(NC(=O)c3ccccc3C)n[nH]2)c(C)c2ccccc21.
What is the InChIKey of N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-methylbenzamide?
The InChIKey is NRNTVHSQXODSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-4-26-19-12-8-7-11-17(19)15(3)21(26)18-13-20(25-24-18)23-22(27)16-10-6-5-9-14(16)2/h5-13H,4H2,1-3H3,(H2,23,24,25,27).
What are the key properties of N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-methylbenzamide?
N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-methylbenzamide has a molecular weight of 358.45 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-methylbenzamide is sourced from PubChem (CID 53196042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).