2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide

C26H26N4O — CID 9437010

IUPAC2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C26H26N4O/c1-20-11-9-10-16-24(20)27-25(31)19-29(2)17-22-18-30(23-14-7-4-8-15-23)28-26(22)21-12-5-3-6-13-21/h3-16,18H,17,19H2,1-2H3,(H,27,31)
InChIKeyYPCBKDWQIPRTNE-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.92
Rot. Bonds7

About 2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide

2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide (PubChem CID 9437010) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide
PubChem CID9437010
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C26H26N4O/c1-20-11-9-10-16-24(20)27-25(31)19-29(2)17-22-18-30(23-14-7-4-8-15-23)28-26(22)21-12-5-3-6-13-21/h3-16,18H,17,19H2,1-2H3,(H,27,31)
InChIKeyYPCBKDWQIPRTNE-UHFFFAOYSA-N
XLogP4.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide
CID 8915077
N-(3,5-dimethoxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 39791312
N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 8915030
2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 55504042
2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide
CID 8683016
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 27788275
3-(N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetyl]anilino)propanamide
CID 34708687
(1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol
CID 31927363
2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide
CID 55912722
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148
2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 41083283
N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide
CID 56538169

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide (CID 9437010) is 2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is YPCBKDWQIPRTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-20-11-9-10-16-24(20)27-25(31)19-29(2)17-22-18-30(23-14-7-4-8-15-23)28-26(22)21-12-5-3-6-13-21/h3-16,18H,17,19H2,1-2H3,(H,27,31).
What are the key properties of 2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide?
2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 410.52 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 9437010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).