N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-phenylindol-1-yl)acetamide

C27H24N4O — CID 16575307

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-phenylindol-1-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)Cn1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C27H24N4O/c1-19-27(20(2)31(29-19)23-14-7-4-8-15-23)28-26(32)18-30-24-16-10-9-13-22(24)17-25(30)21-11-5-3-6-12-21/h3-17H,18H2,1-2H3,(H,28,32)
InChIKeyLVUJUWNHMLZZRX-UHFFFAOYSA-N
MW420.52 g/mol
LogP5.75
Rot. Bonds5

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-phenylindol-1-yl)acetamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-phenylindol-1-yl)acetamide (PubChem CID 16575307) has the molecular formula C27H24N4O and a molecular weight of 420.52 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-phenylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-phenylindol-1-yl)acetamide
PubChem CID16575307
Molecular FormulaC27H24N4O
Molecular Weight420.52 g/mol
Exact Mass420.20
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-phenylindol-1-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)Cn1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C27H24N4O/c1-19-27(20(2)31(29-19)23-14-7-4-8-15-23)28-26(32)18-30-24-16-10-9-13-22(24)17-25(30)21-11-5-3-6-12-21/h3-17H,18H2,1-2H3,(H,28,32)
InChIKeyLVUJUWNHMLZZRX-UHFFFAOYSA-N
XLogP5.75
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.52
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-phenylanilino)acetamide
CID 39912340
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-propan-2-ylindol-1-yl)acetate
CID 134405529
2-(2-methylindol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 71690037
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylphenyl)acetamide
CID 24659529
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-methylindol-1-yl)propanoate
CID 134405441
2-methyl-4-[[2-(2-phenylindol-1-yl)acetyl]amino]benzamide
CID 56518035
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-nitroimidazol-1-yl)acetamide
CID 39030664
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(N-methylanilino)acetamide
CID 8002339
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
CID 78762299
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-phenylindol-1-yl)acetamide
CID 8832224
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-ethylphenyl)acetamide
CID 99632483
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(3-methylanilino)acetamide
CID 78792945

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-phenylindol-1-yl)acetamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-phenylindol-1-yl)acetamide (CID 16575307) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-phenylindol-1-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-phenylindol-1-yl)acetamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-phenylindol-1-yl)acetamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)Cn1c(-c2ccccc2)cc2ccccc21.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-phenylindol-1-yl)acetamide?
The InChIKey is LVUJUWNHMLZZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O/c1-19-27(20(2)31(29-19)23-14-7-4-8-15-23)28-26(32)18-30-24-16-10-9-13-22(24)17-25(30)21-11-5-3-6-12-21/h3-17H,18H2,1-2H3,(H,28,32).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-phenylindol-1-yl)acetamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-phenylindol-1-yl)acetamide has a molecular weight of 420.52 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-phenylindol-1-yl)acetamide is sourced from PubChem (CID 16575307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).