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

C15H18N4O2 — CID 43546705

IUPACN-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C15H18N4O2/c1-9-4-6-12(7-5-9)15(21)16-8-13(20)17-14-10(2)18-19-11(14)3/h4-7H,8H2,1-3H3,(H,16,21)(H,17,20)(H,18,19)
InChIKeyFJZNYYFVXYXWHN-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.70
Rot. Bonds4

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

N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-4-methylbenzamide (PubChem CID 43546705) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-4-methylbenzamide
PubChem CID43546705
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C15H18N4O2/c1-9-4-6-12(7-5-9)15(21)16-8-13(20)17-14-10(2)18-19-11(14)3/h4-7H,8H2,1-3H3,(H,16,21)(H,17,20)(H,18,19)
InChIKeyFJZNYYFVXYXWHN-UHFFFAOYSA-N
XLogP1.70
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 43546603
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-methylbenzamide
CID 46745022
N-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 83097711
N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide
CID 17349905
2-(4-acetylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 78767751
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide
CID 107908306
3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 43399198
4-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 60822064
4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-oxobutanoic acid
CID 16645428
N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 43389073
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-4-methylbenzamide (CID 43546705) is N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(=O)Nc2c(C)n[nH]c2C)cc1.
What is the InChIKey of N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is FJZNYYFVXYXWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9-4-6-12(7-5-9)15(21)16-8-13(20)17-14-10(2)18-19-11(14)3/h4-7H,8H2,1-3H3,(H,16,21)(H,17,20)(H,18,19).
What are the key properties of N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-4-methylbenzamide?
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 286.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 43546705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).