N-(1,2-diphenylethyl)-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide

C24H24N4O — CID 4557755

IUPACN-(1,2-diphenylethyl)-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
SMILESCn1cccc1-c1cc(C(=O)NC(Cc2ccccc2)c2ccccc2)n(C)n1
InChIInChI=1S/C24H24N4O/c1-27-15-9-14-22(27)21-17-23(28(2)26-21)24(29)25-20(19-12-7-4-8-13-19)16-18-10-5-3-6-11-18/h3-15,17,20H,16H2,1-2H3,(H,25,29)
InChIKeyFQBKEGFITGIYAR-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.14
Rot. Bonds6

About N-(1,2-diphenylethyl)-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide

N-(1,2-diphenylethyl)-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide (PubChem CID 4557755) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
PubChem CID4557755
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-(1,2-diphenylethyl)-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
SMILESCn1cccc1-c1cc(C(=O)NC(Cc2ccccc2)c2ccccc2)n(C)n1
InChIInChI=1S/C24H24N4O/c1-27-15-9-14-22(27)21-17-23(28(2)26-21)24(29)25-20(19-12-7-4-8-13-19)16-18-10-5-3-6-11-18/h3-15,17,20H,16H2,1-2H3,(H,25,29)
InChIKeyFQBKEGFITGIYAR-UHFFFAOYSA-N
XLogP4.14
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-N-(1,2-diphenylethyl)-1-methylpyrazole-5-carboxamide
CID 42759545
N-(1,2-diphenylethyl)-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 5021989
N-(1,2-diphenylethyl)-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42659190
N-[(4-fluorophenyl)methyl]-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 42759503
N-benzhydryl-1-(3,4-dichlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 3429186
N-[(1R)-1,2-diphenylethyl]-1-methyl-4-nitropyrrole-2-carboxamide
CID 32914872
N-benzhydryl-1-(3-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4564917
3-(1-methylpyrrol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 70755650
1-methyl-3-(1-methylpyrrol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 42759501
N-(1,2-diphenylethyl)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 4273385
3-(3,4-dimethylphenyl)-N-(1,2-diphenylethyl)-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3946638
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 107861204

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?
The IUPAC name of N-(1,2-diphenylethyl)-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide (CID 4557755) is N-(1,2-diphenylethyl)-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for N-(1,2-diphenylethyl)-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide is Cn1cccc1-c1cc(C(=O)NC(Cc2ccccc2)c2ccccc2)n(C)n1.
What is the InChIKey of N-(1,2-diphenylethyl)-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?
The InChIKey is FQBKEGFITGIYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-27-15-9-14-22(27)21-17-23(28(2)26-21)24(29)25-20(19-12-7-4-8-13-19)16-18-10-5-3-6-11-18/h3-15,17,20H,16H2,1-2H3,(H,25,29).
What are the key properties of N-(1,2-diphenylethyl)-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?
N-(1,2-diphenylethyl)-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 4557755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).