5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid

C15H18N4O2 — CID 117461912

IUPAC5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCN1CCN(C)c2cc(-c3cc(C(=O)O)nn3C)ccc21
InChIInChI=1S/C15H18N4O2/c1-17-6-7-18(2)14-8-10(4-5-12(14)17)13-9-11(15(20)21)16-19(13)3/h4-5,8-9H,6-7H2,1-3H3,(H,20,21)
InChIKeyDPBOVZZKBGARRV-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.67
Rot. Bonds2

About 5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid

5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 117461912) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid
PubChem CID117461912
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCN1CCN(C)c2cc(-c3cc(C(=O)O)nn3C)ccc21
InChIInChI=1S/C15H18N4O2/c1-17-6-7-18(2)14-8-10(4-5-12(14)17)13-9-11(15(20)21)16-19(13)3/h4-5,8-9H,6-7H2,1-3H3,(H,20,21)
InChIKeyDPBOVZZKBGARRV-UHFFFAOYSA-N
XLogP1.67
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)pyrazole-3-carboxylic acid
CID 117396362
5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 71292511
5-(3-chloro-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 168912055
5-(1-acetyl-2,3-dihydroindol-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117459383
1-methyl-5-quinoxalin-6-ylpyrazole-3-carboxylic acid
CID 117388457
1-methyl-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylic acid
CID 83853464
5-(3-hydroxy-4-methylsulfanylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117414983
5-(3-fluoro-4-methylsulfanylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117419463
1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carboxylic acid
CID 112710654
5-[4-(dimethylamino)-3-fluorophenyl]-1-methylpyrazole-3-carboxylic acid
CID 117412203
5-[3-(difluoromethyl)-4-methylphenyl]-1-methylpyrazole-3-carboxylic acid
CID 117419287
5-(1-benzofuran-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 117357211

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid (CID 117461912) is 5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid is CN1CCN(C)c2cc(-c3cc(C(=O)O)nn3C)ccc21.
What is the InChIKey of 5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is DPBOVZZKBGARRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-17-6-7-18(2)14-8-10(4-5-12(14)17)13-9-11(15(20)21)16-19(13)3/h4-5,8-9H,6-7H2,1-3H3,(H,20,21).
What are the key properties of 5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid?
5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 286.34 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 117461912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).