1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide

C28H26N4O2 — CID 16925716

IUPAC1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cn(Cc2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C28H26N4O2/c33-27(29-16-15-23-17-30-26-14-8-7-13-24(23)26)25-19-32(18-21-9-3-1-4-10-21)31-28(25)34-20-22-11-5-2-6-12-22/h1-14,17,19,30H,15-16,18,20H2,(H,29,33)
InChIKeyVNROZHGYSHQROA-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.96
Rot. Bonds9

About 1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide

1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide (PubChem CID 16925716) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide
PubChem CID16925716
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cn(Cc2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C28H26N4O2/c33-27(29-16-15-23-17-30-26-14-8-7-13-24(23)26)25-19-32(18-21-9-3-1-4-10-21)31-28(25)34-20-22-11-5-2-6-12-22/h1-14,17,19,30H,15-16,18,20H2,(H,29,33)
InChIKeyVNROZHGYSHQROA-UHFFFAOYSA-N
XLogP4.96
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-1-ethyl-N-[2-(1H-indol-3-yl)ethyl]pyrazole-4-carboxamide
CID 16925475
N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574118
N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 103803030
5-(benzylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109188002
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-benzyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109187851
N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide
CID 51200340
N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
CID 45497188
2,3-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645249
N-[2-(1H-indol-3-yl)ethyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42693068
5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109104994
N-[2-(1H-indol-3-yl)ethyl]-2-methoxy-5-methylbenzamide
CID 17433152

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide (CID 16925716) is 1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cn(Cc2ccccc2)nc1OCc1ccccc1.
What is the InChIKey of 1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide?
The InChIKey is VNROZHGYSHQROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c33-27(29-16-15-23-17-30-26-14-8-7-13-24(23)26)25-19-32(18-21-9-3-1-4-10-21)31-28(25)34-20-22-11-5-2-6-12-22/h1-14,17,19,30H,15-16,18,20H2,(H,29,33).
What are the key properties of 1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide?
1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 4.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide is sourced from PubChem (CID 16925716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).