N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

C14H17N5O — CID 104614459

IUPACN-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(c2)NCCN3)n(C)n1
InChIInChI=1S/C14H17N5O/c1-9-7-13(19(2)18-9)17-14(20)10-3-4-11-12(8-10)16-6-5-15-11/h3-4,7-8,15-16H,5-6H2,1-2H3,(H,17,20)
InChIKeyQGGYPPNQNGSVGF-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.82
Rot. Bonds2

About N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (PubChem CID 104614459) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
PubChem CID104614459
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(c2)NCCN3)n(C)n1
InChIInChI=1S/C14H17N5O/c1-9-7-13(19(2)18-9)17-14(20)10-3-4-11-12(8-10)16-6-5-15-11/h3-4,7-8,15-16H,5-6H2,1-2H3,(H,17,20)
InChIKeyQGGYPPNQNGSVGF-UHFFFAOYSA-N
XLogP1.82
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325652
4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide
CID 16784587
4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 10038843
N-(2,5-dimethylpyrazol-3-yl)-1H-indazole-6-carboxamide
CID 62907185
N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 23474771
N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide
CID 35291217
N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46412653
N-(2,5-dimethylpyrazol-3-yl)-4-propan-2-yloxybenzamide
CID 45284563
N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614337
3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 43156305
N-(2,5-dimethylpyrazol-3-yl)-3-fluoro-4-nitrobenzamide
CID 62680904
2-amino-N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-6-carboxamide
CID 65349670

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (CID 104614459) is N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is Cc1cc(NC(=O)c2ccc3c(c2)NCCN3)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The InChIKey is QGGYPPNQNGSVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-9-7-13(19(2)18-9)17-14(20)10-3-4-11-12(8-10)16-6-5-15-11/h3-4,7-8,15-16H,5-6H2,1-2H3,(H,17,20).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is sourced from PubChem (CID 104614459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).