N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-1H-indol-3-yl)-N-propan-2-ylacetamide

C24H26N4O — CID 10271497

IUPACN-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-1H-indol-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1cnn(C)c1)C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C24H26N4O/c1-17(2)28(16-18-14-25-27(3)15-18)23(29)13-21-20-11-7-8-12-22(20)26-24(21)19-9-5-4-6-10-19/h4-12,14-15,17,26H,13,16H2,1-3H3
InChIKeyCSSSHHXWEPZWGN-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.55
Rot. Bonds6

About N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-1H-indol-3-yl)-N-propan-2-ylacetamide

N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-1H-indol-3-yl)-N-propan-2-ylacetamide (PubChem CID 10271497) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-1H-indol-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-1H-indol-3-yl)-N-propan-2-ylacetamide
PubChem CID10271497
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-1H-indol-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1cnn(C)c1)C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C24H26N4O/c1-17(2)28(16-18-14-25-27(3)15-18)23(29)13-21-20-11-7-8-12-22(20)26-24(21)19-9-5-4-6-10-19/h4-12,14-15,17,26H,13,16H2,1-3H3
InChIKeyCSSSHHXWEPZWGN-UHFFFAOYSA-N
XLogP4.55
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-1H-indol-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-1H-indol-3-yl)-N-propan-2-ylacetamide (CID 10271497) is N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-1H-indol-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-1H-indol-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-1H-indol-3-yl)-N-propan-2-ylacetamide is CC(C)N(Cc1cnn(C)c1)C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-1H-indol-3-yl)-N-propan-2-ylacetamide?
The InChIKey is CSSSHHXWEPZWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-17(2)28(16-18-14-25-27(3)15-18)23(29)13-21-20-11-7-8-12-22(20)26-24(21)19-9-5-4-6-10-19/h4-12,14-15,17,26H,13,16H2,1-3H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-1H-indol-3-yl)-N-propan-2-ylacetamide?
N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-1H-indol-3-yl)-N-propan-2-ylacetamide has a molecular weight of 386.50 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-1H-indol-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 10271497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).