N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-ethoxy-1H-indole-2-carboxamide

C23H24N4O2 — CID 167872786

IUPACN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-ethoxy-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)Nc3c(C)nn(Cc4ccccc4)c3C)[nH]c2c1
InChIInChI=1S/C23H24N4O2/c1-4-29-19-11-10-18-12-21(24-20(18)13-19)23(28)25-22-15(2)26-27(16(22)3)14-17-8-6-5-7-9-17/h5-13,24H,4,14H2,1-3H3,(H,25,28)
InChIKeyWQCAQEJHCIKWOT-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.68
Rot. Bonds6

About N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-ethoxy-1H-indole-2-carboxamide

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-ethoxy-1H-indole-2-carboxamide (PubChem CID 167872786) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-ethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-ethoxy-1H-indole-2-carboxamide
PubChem CID167872786
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-ethoxy-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)Nc3c(C)nn(Cc4ccccc4)c3C)[nH]c2c1
InChIInChI=1S/C23H24N4O2/c1-4-29-19-11-10-18-12-21(24-20(18)13-19)23(28)25-22-15(2)26-27(16(22)3)14-17-8-6-5-7-9-17/h5-13,24H,4,14H2,1-3H3,(H,25,28)
InChIKeyWQCAQEJHCIKWOT-UHFFFAOYSA-N
XLogP4.68
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide
CID 19337872
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-methoxynaphthalene-2-carboxamide
CID 167835152
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-(difluoromethoxy)benzamide
CID 19335756
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-[(3-chlorophenoxy)methyl]benzamide
CID 19335847
3-[(4-ethoxyphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19409671
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide
CID 19335776
N-(1,3-benzoxazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112528171
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
CID 19335829
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1H-indole-2-carboxamide
CID 36752954
N-(2,5-dimethylphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112520813
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide
CID 19409659
methyl 2-[[4-[(4-ethoxybenzoyl)amino]-3,5-dimethylpyrazol-1-yl]methyl]benzoate
CID 19406622

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-ethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-ethoxy-1H-indole-2-carboxamide (CID 167872786) is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-ethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-ethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-ethoxy-1H-indole-2-carboxamide is CCOc1ccc2cc(C(=O)Nc3c(C)nn(Cc4ccccc4)c3C)[nH]c2c1.
What is the InChIKey of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-ethoxy-1H-indole-2-carboxamide?
The InChIKey is WQCAQEJHCIKWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-4-29-19-11-10-18-12-21(24-20(18)13-19)23(28)25-22-15(2)26-27(16(22)3)14-17-8-6-5-7-9-17/h5-13,24H,4,14H2,1-3H3,(H,25,28).
What are the key properties of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-ethoxy-1H-indole-2-carboxamide?
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-ethoxy-1H-indole-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-ethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 167872786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).