N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

C15H19N5O — CID 106048121

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCc1c(CNC(=O)c2cccc3c2NCCN3)cnn1C
InChIInChI=1S/C15H19N5O/c1-10-11(9-19-20(10)2)8-18-15(21)12-4-3-5-13-14(12)17-7-6-16-13/h3-5,9,16-17H,6-8H2,1-2H3,(H,18,21)
InChIKeyPJUDDNYQHYEQKA-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.50
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (PubChem CID 106048121) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
PubChem CID106048121
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCc1c(CNC(=O)c2cccc3c2NCCN3)cnn1C
InChIInChI=1S/C15H19N5O/c1-10-11(9-19-20(10)2)8-18-15(21)12-4-3-5-13-14(12)17-7-6-16-13/h3-5,9,16-17H,6-8H2,1-2H3,(H,18,21)
InChIKeyPJUDDNYQHYEQKA-UHFFFAOYSA-N
XLogP1.50
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 106032732
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide
CID 106049267
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106047246
N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614657
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106047340
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-2-hydrazinylbenzamide
CID 106040117
N-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614467
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydrazinylpyridine-4-carboxamide
CID 106040133
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 19282116
3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-nitrobenzamide
CID 103861041
2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-nitrobenzamide
CID 106033223
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide
CID 19571806

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (CID 106048121) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is Cc1c(CNC(=O)c2cccc3c2NCCN3)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The InChIKey is PJUDDNYQHYEQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-11(9-19-20(10)2)8-18-15(21)12-4-3-5-13-14(12)17-7-6-16-13/h3-5,9,16-17H,6-8H2,1-2H3,(H,18,21).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is sourced from PubChem (CID 106048121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).