N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide

C15H18N4O — CID 62850085

IUPACN-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCn1cc(CNC(=O)c2cccc3c2CCCN3)cn1
InChIInChI=1S/C15H18N4O/c1-19-10-11(9-18-19)8-17-15(20)13-4-2-6-14-12(13)5-3-7-16-14/h2,4,6,9-10,16H,3,5,7-8H2,1H3,(H,17,20)
InChIKeyWDNOTLPHTJZTBF-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.71
Rot. Bonds3

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

N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 62850085) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID62850085
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCn1cc(CNC(=O)c2cccc3c2CCCN3)cn1
InChIInChI=1S/C15H18N4O/c1-19-10-11(9-18-19)8-17-15(20)13-4-2-6-14-12(13)5-3-7-16-14/h2,4,6,9-10,16H,3,5,7-8H2,1H3,(H,17,20)
InChIKeyWDNOTLPHTJZTBF-UHFFFAOYSA-N
XLogP1.71
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 110489176
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 120983080
N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849698
N-(3-ethyl-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 107463094
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850406
2-amino-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 62185127
N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850400
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide
CID 110483761
N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127025
N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 106336780
2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292438

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 62850085) is N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is Cn1cc(CNC(=O)c2cccc3c2CCCN3)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is WDNOTLPHTJZTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-19-10-11(9-18-19)8-17-15(20)13-4-2-6-14-12(13)5-3-7-16-14/h2,4,6,9-10,16H,3,5,7-8H2,1H3,(H,17,20).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 62850085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).