N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide

C19H23N5O2 — CID 118778692

IUPACN-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCc1nn(C(C)C)c(C)c1CNC(=O)c1nc2ccccc2n(C)c1=O
InChIInChI=1S/C19H23N5O2/c1-11(2)24-13(4)14(12(3)22-24)10-20-18(25)17-19(26)23(5)16-9-7-6-8-15(16)21-17/h6-9,11H,10H2,1-5H3,(H,20,25)
InChIKeyDZRFBRCSLFCFTR-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.26
Rot. Bonds4

About N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide

N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide (PubChem CID 118778692) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
PubChem CID118778692
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCc1nn(C(C)C)c(C)c1CNC(=O)c1nc2ccccc2n(C)c1=O
InChIInChI=1S/C19H23N5O2/c1-11(2)24-13(4)14(12(3)22-24)10-20-18(25)17-19(26)23(5)16-9-7-6-8-15(16)21-17/h6-9,11H,10H2,1-5H3,(H,20,25)
InChIKeyDZRFBRCSLFCFTR-UHFFFAOYSA-N
XLogP2.26
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide with MolForge

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Related Compounds

4-methyl-3-oxo-N-[(1R)-1-phenylethyl]quinoxaline-2-carboxamide
CID 92877606
N-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46365020
N-[1-(1-adamantyl)ethyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 50808151
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111952181
1,3-dimethyl-2-oxo-N-[(2S)-2-phenylpropyl]quinoxaline-6-carboxamide
CID 95065720
4-methyl-3-oxo-N-pyridin-2-ylquinoxaline-2-carboxamide
CID 53009406
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46364977
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 74235313
N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46365046
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 55756919
(2S)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
CID 51598009
4-methyl-3-oxo-N-[5-[(1S)-1-phenoxyethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-2-carboxamide
CID 92626244

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide (CID 118778692) is N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide is Cc1nn(C(C)C)c(C)c1CNC(=O)c1nc2ccccc2n(C)c1=O.
What is the InChIKey of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The InChIKey is DZRFBRCSLFCFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-11(2)24-13(4)14(12(3)22-24)10-20-18(25)17-19(26)23(5)16-9-7-6-8-15(16)21-17/h6-9,11H,10H2,1-5H3,(H,20,25).
What are the key properties of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide is sourced from PubChem (CID 118778692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).