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

C13H15N5O — CID 104615156

IUPACN-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCn1cc(NC(=O)c2cccc3c2NCCN3)cn1
InChIInChI=1S/C13H15N5O/c1-18-8-9(7-16-18)17-13(19)10-3-2-4-11-12(10)15-6-5-14-11/h2-4,7-8,14-15H,5-6H2,1H3,(H,17,19)
InChIKeyDXNGYZHXRJYOLL-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.51
Rot. Bonds2

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

N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (PubChem CID 104615156) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
PubChem CID104615156
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCn1cc(NC(=O)c2cccc3c2NCCN3)cn1
InChIInChI=1S/C13H15N5O/c1-18-8-9(7-16-18)17-13(19)10-3-2-4-11-12(10)15-6-5-14-11/h2-4,7-8,14-15H,5-6H2,1H3,(H,17,19)
InChIKeyDXNGYZHXRJYOLL-UHFFFAOYSA-N
XLogP1.51
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethyl-N-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide
CID 32609242
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 106048121
4-hydrazinyl-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 81256149
N-(2-ethylphenyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614434
N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 47028121
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615174
2-(methylamino)-N-(1-methylpyrazol-4-yl)-3-nitrobenzamide
CID 115936516
4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 60749610
2-(ethylamino)-N-(1-methylpyrazol-4-yl)-3-nitrobenzamide
CID 115936515
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615124
2,5-dimethyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
CID 32605378
2-methyl-4-(methylamino)-N-(1-methylpyrazol-4-yl)benzamide
CID 113400170

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (CID 104615156) is N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is Cn1cc(NC(=O)c2cccc3c2NCCN3)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The InChIKey is DXNGYZHXRJYOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-18-8-9(7-16-18)17-13(19)10-3-2-4-11-12(10)15-6-5-14-11/h2-4,7-8,14-15H,5-6H2,1H3,(H,17,19).
What are the key properties of N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is sourced from PubChem (CID 104615156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).