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

C16H20N4O — CID 107463094

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCCc1nn(C)cc1NC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C16H20N4O/c1-3-13-15(10-20(2)19-13)18-16(21)12-6-4-8-14-11(12)7-5-9-17-14/h4,6,8,10,17H,3,5,7,9H2,1-2H3,(H,18,21)
InChIKeyYGIBAMSZVKNLDB-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.59
Rot. Bonds3

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

N-(3-ethyl-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 107463094) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID107463094
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCCc1nn(C)cc1NC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C16H20N4O/c1-3-13-15(10-20(2)19-13)18-16(21)12-6-4-8-14-11(12)7-5-9-17-14/h4,6,8,10,17H,3,5,7,9H2,1-2H3,(H,18,21)
InChIKeyYGIBAMSZVKNLDB-UHFFFAOYSA-N
XLogP2.59
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
CID 113349963
N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850085
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 104954686
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 107461918
3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 100703491
3-amino-2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 107461878
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide
CID 107463012
3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide
CID 106548195
3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid
CID 166289655
N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850225
1-methyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)imidazole-4-carboxamide
CID 107971880
N-(2-bromo-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 82747600

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 107463094) is N-(3-ethyl-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide is CCc1nn(C)cc1NC(=O)c1cccc2c1CCCN2.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is YGIBAMSZVKNLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-13-15(10-20(2)19-13)18-16(21)12-6-4-8-14-11(12)7-5-9-17-14/h4,6,8,10,17H,3,5,7,9H2,1-2H3,(H,18,21).
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-(3-ethyl-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 107463094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).