N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-(2-methylphenyl)pyrazole-3-carboxamide

C23H24N4O — CID 166376122

IUPACN-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-(2-methylphenyl)pyrazole-3-carboxamide
SMILESCCc1cccc2c(CCNC(=O)c3ccn(-c4ccccc4C)n3)c[nH]c12
InChIInChI=1S/C23H24N4O/c1-3-17-8-6-9-19-18(15-25-22(17)19)11-13-24-23(28)20-12-14-27(26-20)21-10-5-4-7-16(21)2/h4-10,12,14-15,25H,3,11,13H2,1-2H3,(H,24,28)
InChIKeyXRVRTDZGCLBBOS-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.20
Rot. Bonds6

About N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-(2-methylphenyl)pyrazole-3-carboxamide

N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-(2-methylphenyl)pyrazole-3-carboxamide (PubChem CID 166376122) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-(2-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-(2-methylphenyl)pyrazole-3-carboxamide
PubChem CID166376122
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-(2-methylphenyl)pyrazole-3-carboxamide
SMILESCCc1cccc2c(CCNC(=O)c3ccn(-c4ccccc4C)n3)c[nH]c12
InChIInChI=1S/C23H24N4O/c1-3-17-8-6-9-19-18(15-25-22(17)19)11-13-24-23(28)20-12-14-27(26-20)21-10-5-4-7-16(21)2/h4-10,12,14-15,25H,3,11,13H2,1-2H3,(H,24,28)
InChIKeyXRVRTDZGCLBBOS-UHFFFAOYSA-N
XLogP4.20
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 166376123
2-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 119779445
4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride
CID 119321134
1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 111507161
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109407356
1-[(2S)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 124726945
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide
CID 119779419
2-ethyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide
CID 74240615
5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid
CID 167925600
(2S)-2-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119322305
2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 120632210
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111117711

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-(2-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-(2-methylphenyl)pyrazole-3-carboxamide (CID 166376122) is N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-(2-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-(2-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-(2-methylphenyl)pyrazole-3-carboxamide is CCc1cccc2c(CCNC(=O)c3ccn(-c4ccccc4C)n3)c[nH]c12.
What is the InChIKey of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-(2-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is XRVRTDZGCLBBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-3-17-8-6-9-19-18(15-25-22(17)19)11-13-24-23(28)20-12-14-27(26-20)21-10-5-4-7-16(21)2/h4-10,12,14-15,25H,3,11,13H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-(2-methylphenyl)pyrazole-3-carboxamide?
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-(2-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-(2-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 166376122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).