2-[[cyclopropyl(phenyl)methyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide

C23H26N4O — CID 112806614

IUPAC2-[[cyclopropyl(phenyl)methyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)CNC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C23H26N4O/c1-16-8-12-20(13-9-16)27-21(14-17(2)26-27)25-22(28)15-24-23(19-10-11-19)18-6-4-3-5-7-18/h3-9,12-14,19,23-24H,10-11,15H2,1-2H3,(H,25,28)
InChIKeyJYYDYIPMMBRINR-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.17
Rot. Bonds7

About 2-[[cyclopropyl(phenyl)methyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide

2-[[cyclopropyl(phenyl)methyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide (PubChem CID 112806614) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[[cyclopropyl(phenyl)methyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[[cyclopropyl(phenyl)methyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
PubChem CID112806614
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-[[cyclopropyl(phenyl)methyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)CNC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C23H26N4O/c1-16-8-12-20(13-9-16)27-21(14-17(2)26-27)25-22(28)15-24-23(19-10-11-19)18-6-4-3-5-7-18/h3-9,12-14,19,23-24H,10-11,15H2,1-2H3,(H,25,28)
InChIKeyJYYDYIPMMBRINR-UHFFFAOYSA-N
XLogP4.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[cyclopropyl(phenyl)methyl]amino]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]acetamide
CID 112806625
2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 97337471
2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide
CID 60712191
2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 46583198
2-[[(S)-cyclobutyl(phenyl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 95312814
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 40751589
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 120760391
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 78817652
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 2334617
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 8688317
diethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium
CID 6932117
N-(3-chloro-2-methylphenyl)-2-[[cyclopropyl(phenyl)methyl]amino]acetamide
CID 112806311

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(phenyl)methyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-[[cyclopropyl(phenyl)methyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide (CID 112806614) is 2-[[cyclopropyl(phenyl)methyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[[cyclopropyl(phenyl)methyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[[cyclopropyl(phenyl)methyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide is Cc1ccc(-n2nc(C)cc2NC(=O)CNC(c2ccccc2)C2CC2)cc1.
What is the InChIKey of 2-[[cyclopropyl(phenyl)methyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The InChIKey is JYYDYIPMMBRINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16-8-12-20(13-9-16)27-21(14-17(2)26-27)25-22(28)15-24-23(19-10-11-19)18-6-4-3-5-7-18/h3-9,12-14,19,23-24H,10-11,15H2,1-2H3,(H,25,28).
What are the key properties of 2-[[cyclopropyl(phenyl)methyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
2-[[cyclopropyl(phenyl)methyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide has a molecular weight of 374.49 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(phenyl)methyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 112806614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).