N-[2-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-N-methylbenzamide

C15H18N4O2 — CID 115610254

IUPACN-[2-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-N-methylbenzamide
SMILESCc1[nH]nc(NC(=O)CN(C)C(=O)c2ccccc2)c1C
InChIInChI=1S/C15H18N4O2/c1-10-11(2)17-18-14(10)16-13(20)9-19(3)15(21)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H2,16,17,18,20)
InChIKeyYKBHICVLKMOAEU-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.74
Rot. Bonds4

About N-[2-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-N-methylbenzamide

N-[2-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-N-methylbenzamide (PubChem CID 115610254) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-N-methylbenzamide
PubChem CID115610254
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[2-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-N-methylbenzamide
SMILESCc1[nH]nc(NC(=O)CN(C)C(=O)c2ccccc2)c1C
InChIInChI=1S/C15H18N4O2/c1-10-11(2)17-18-14(10)16-13(20)9-19(3)15(21)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H2,16,17,18,20)
InChIKeyYKBHICVLKMOAEU-UHFFFAOYSA-N
XLogP1.74
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47289765
2-[acetyl(methyl)amino]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115610237
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197
2-[2-(aminomethyl)phenyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104618675
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 86848927
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide
CID 115594855
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104618733
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenyl)acetamide
CID 112687368
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide
CID 115594830
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of N-[2-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-N-methylbenzamide (CID 115610254) is N-[2-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-N-methylbenzamide is Cc1[nH]nc(NC(=O)CN(C)C(=O)c2ccccc2)c1C.
What is the InChIKey of N-[2-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-N-methylbenzamide?
The InChIKey is YKBHICVLKMOAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-11(2)17-18-14(10)16-13(20)9-19(3)15(21)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H2,16,17,18,20).
What are the key properties of N-[2-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-N-methylbenzamide?
N-[2-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-N-methylbenzamide has a molecular weight of 286.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 115610254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).