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

C16H20N4O — CID 106105003

IUPACN-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCn1ccc(CCNC(=O)C2CCNc3ccccc32)n1
InChIInChI=1S/C16H20N4O/c1-20-11-8-12(19-20)6-9-18-16(21)14-7-10-17-15-5-3-2-4-13(14)15/h2-5,8,11,14,17H,6-7,9-10H2,1H3,(H,18,21)
InChIKeyZDIAWZLFUDVZNB-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.68
Rot. Bonds4

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

N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide (PubChem CID 106105003) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
PubChem CID106105003
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCn1ccc(CCNC(=O)C2CCNc3ccccc32)n1
InChIInChI=1S/C16H20N4O/c1-20-11-8-12(19-20)6-9-18-16(21)14-7-10-17-15-5-3-2-4-13(14)15/h2-5,8,11,14,17H,6-7,9-10H2,1H3,(H,18,21)
InChIKeyZDIAWZLFUDVZNB-UHFFFAOYSA-N
XLogP1.68
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 103006626
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106047340
N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 102905910
N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106147953
N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106047714
N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 106104945
cis-(1S,2R)-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106104131
4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 106104900
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide
CID 83022374
4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106104133
(1S,6R)-6-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 106104130
N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106328633

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide (CID 106105003) is N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide is Cn1ccc(CCNC(=O)C2CCNc3ccccc32)n1.
What is the InChIKey of N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The InChIKey is ZDIAWZLFUDVZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20-11-8-12(19-20)6-9-18-16(21)14-7-10-17-15-5-3-2-4-13(14)15/h2-5,8,11,14,17H,6-7,9-10H2,1H3,(H,18,21).
What are the key properties of N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide?
N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide is sourced from PubChem (CID 106105003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).