N-methyl-2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetyl]amino]-2-phenylacetamide

C22H25N5O2 — CID 87014725

IUPACN-methyl-2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetyl]amino]-2-phenylacetamide
SMILESCNC(=O)C(NC(=O)CN(C)Cc1cnn(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C22H25N5O2/c1-23-22(29)21(18-9-5-3-6-10-18)25-20(28)16-26(2)14-17-13-24-27(15-17)19-11-7-4-8-12-19/h3-13,15,21H,14,16H2,1-2H3,(H,23,29)(H,25,28)
InChIKeyOYZJCZIFONXCIT-UHFFFAOYSA-N
MW391.48 g/mol
LogP1.91
Rot. Bonds8

About N-methyl-2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetyl]amino]-2-phenylacetamide

N-methyl-2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetyl]amino]-2-phenylacetamide (PubChem CID 87014725) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-methyl-2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetyl]amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetyl]amino]-2-phenylacetamide
PubChem CID87014725
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-methyl-2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetyl]amino]-2-phenylacetamide
SMILESCNC(=O)C(NC(=O)CN(C)Cc1cnn(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C22H25N5O2/c1-23-22(29)21(18-9-5-3-6-10-18)25-20(28)16-26(2)14-17-13-24-27(15-17)19-11-7-4-8-12-19/h3-13,15,21H,14,16H2,1-2H3,(H,23,29)(H,25,28)
InChIKeyOYZJCZIFONXCIT-UHFFFAOYSA-N
XLogP1.91
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 17416540
N-(2,6-dimethylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 17416541
2-phenyl-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetamide
CID 51336196
N-methyl-2-[[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetyl]amino]-2-phenylacetamide
CID 87016564
N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 17441369
N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 35057961
N-methyl-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 87014713
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166240
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 24648715
1-(2,3-dihydroindol-1-yl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethanone
CID 26684955
2-[ethyl-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 17419291

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetyl]amino]-2-phenylacetamide?
The IUPAC name of N-methyl-2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetyl]amino]-2-phenylacetamide (CID 87014725) is N-methyl-2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetyl]amino]-2-phenylacetamide.
What is the SMILES notation for N-methyl-2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetyl]amino]-2-phenylacetamide?
The canonical SMILES for N-methyl-2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetyl]amino]-2-phenylacetamide is CNC(=O)C(NC(=O)CN(C)Cc1cnn(-c2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-methyl-2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetyl]amino]-2-phenylacetamide?
The InChIKey is OYZJCZIFONXCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-23-22(29)21(18-9-5-3-6-10-18)25-20(28)16-26(2)14-17-13-24-27(15-17)19-11-7-4-8-12-19/h3-13,15,21H,14,16H2,1-2H3,(H,23,29)(H,25,28).
What are the key properties of N-methyl-2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetyl]amino]-2-phenylacetamide?
N-methyl-2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetyl]amino]-2-phenylacetamide has a molecular weight of 391.48 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetyl]amino]-2-phenylacetamide is sourced from PubChem (CID 87014725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).