2-[(1-benzylpyrazol-4-yl)amino]-2-phenylacetamide

C18H18N4O — CID 75507076

IUPAC2-[(1-benzylpyrazol-4-yl)amino]-2-phenylacetamide
SMILESNC(=O)C(Nc1cnn(Cc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C18H18N4O/c19-18(23)17(15-9-5-2-6-10-15)21-16-11-20-22(13-16)12-14-7-3-1-4-8-14/h1-11,13,17,21H,12H2,(H2,19,23)
InChIKeyGPSXKWMVQIWDBU-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.57
Rot. Bonds6

About 2-[(1-benzylpyrazol-4-yl)amino]-2-phenylacetamide

2-[(1-benzylpyrazol-4-yl)amino]-2-phenylacetamide (PubChem CID 75507076) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[(1-benzylpyrazol-4-yl)amino]-2-phenylacetamide.

Molecular Properties

Compound Name2-[(1-benzylpyrazol-4-yl)amino]-2-phenylacetamide
PubChem CID75507076
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-[(1-benzylpyrazol-4-yl)amino]-2-phenylacetamide
SMILESNC(=O)C(Nc1cnn(Cc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C18H18N4O/c19-18(23)17(15-9-5-2-6-10-15)21-16-11-20-22(13-16)12-14-7-3-1-4-8-14/h1-11,13,17,21H,12H2,(H2,19,23)
InChIKeyGPSXKWMVQIWDBU-UHFFFAOYSA-N
XLogP2.57
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]acetamide
CID 99614811
3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol
CID 65337518
3-[(1-benzylpyrazol-4-yl)amino]propanoic acid
CID 82539638
2-[(1-benzylpyrazol-4-yl)amino]-N-(ethylcarbamoyl)propanamide
CID 75507073
2-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methylamino]-2-phenylacetamide
CID 128968415
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
2-anilino-2-phenylacetamide;ethane
CID 142824395
N-(2-amino-2-oxo-1-phenylethyl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
CID 51315406
(2S)-2-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]acetamide
CID 94562119
N-(1-benzylpyrazol-4-yl)-2-bromo-3-methylbutanamide
CID 60934374
N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
CID 60945148
2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide
CID 43783600

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpyrazol-4-yl)amino]-2-phenylacetamide?
The IUPAC name of 2-[(1-benzylpyrazol-4-yl)amino]-2-phenylacetamide (CID 75507076) is 2-[(1-benzylpyrazol-4-yl)amino]-2-phenylacetamide.
What is the SMILES notation for 2-[(1-benzylpyrazol-4-yl)amino]-2-phenylacetamide?
The canonical SMILES for 2-[(1-benzylpyrazol-4-yl)amino]-2-phenylacetamide is NC(=O)C(Nc1cnn(Cc2ccccc2)c1)c1ccccc1.
What is the InChIKey of 2-[(1-benzylpyrazol-4-yl)amino]-2-phenylacetamide?
The InChIKey is GPSXKWMVQIWDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c19-18(23)17(15-9-5-2-6-10-15)21-16-11-20-22(13-16)12-14-7-3-1-4-8-14/h1-11,13,17,21H,12H2,(H2,19,23).
What are the key properties of 2-[(1-benzylpyrazol-4-yl)amino]-2-phenylacetamide?
2-[(1-benzylpyrazol-4-yl)amino]-2-phenylacetamide has a molecular weight of 306.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpyrazol-4-yl)amino]-2-phenylacetamide is sourced from PubChem (CID 75507076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).