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

C16H20N4O — CID 106047340

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCc1c(CNC(=O)C2CCNc3ccccc32)cnn1C
InChIInChI=1S/C16H20N4O/c1-11-12(10-19-20(11)2)9-18-16(21)14-7-8-17-15-6-4-3-5-13(14)15/h3-6,10,14,17H,7-9H2,1-2H3,(H,18,21)
InChIKeyHYCBGHAKBXDWAO-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.94
Rot. Bonds3

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide (PubChem CID 106047340) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
PubChem CID106047340
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCc1c(CNC(=O)C2CCNc3ccccc32)cnn1C
InChIInChI=1S/C16H20N4O/c1-11-12(10-19-20(11)2)9-18-16(21)14-7-8-17-15-6-4-3-5-13(14)15/h3-6,10,14,17H,7-9H2,1-2H3,(H,18,21)
InChIKeyHYCBGHAKBXDWAO-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 104931831
N-[2-(2-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 103006626
(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 106047444
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 106048121
N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106105003
N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 102905910
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylpiperidine-2-carboxamide
CID 106047227
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 126828535
1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 146084594
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide
CID 83022374
N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106147953
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylacetamide
CID 106047419

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide (CID 106047340) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide is Cc1c(CNC(=O)C2CCNc3ccccc32)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The InChIKey is HYCBGHAKBXDWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-12(10-19-20(11)2)9-18-16(21)14-7-8-17-15-6-4-3-5-13(14)15/h3-6,10,14,17H,7-9H2,1-2H3,(H,18,21).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide is sourced from PubChem (CID 106047340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).