N-(5-propyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide

C16H20N4O — CID 104618202

IUPACN-(5-propyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCCCc1cc(NC(=O)C2CCNc3ccccc32)n[nH]1
InChIInChI=1S/C16H20N4O/c1-2-5-11-10-15(20-19-11)18-16(21)13-8-9-17-14-7-4-3-6-12(13)14/h3-4,6-7,10,13,17H,2,5,8-9H2,1H3,(H2,18,19,20,21)
InChIKeyOHELTVSASDUBCT-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.90
Rot. Bonds4

About N-(5-propyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide

N-(5-propyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide (PubChem CID 104618202) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(5-propyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-propyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
PubChem CID104618202
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(5-propyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCCCc1cc(NC(=O)C2CCNc3ccccc32)n[nH]1
InChIInChI=1S/C16H20N4O/c1-2-5-11-10-15(20-19-11)18-16(21)13-8-9-17-14-7-4-3-6-12(13)14/h3-4,6-7,10,13,17H,2,5,8-9H2,1H3,(H2,18,19,20,21)
InChIKeyOHELTVSASDUBCT-UHFFFAOYSA-N
XLogP2.90
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-propyl-1H-pyrazol-3-yl)cyclopropanecarboxamide
CID 115619791
N-(5-propyl-1H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 115745995
(2S)-N-(5-propyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 104618262
N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide
CID 115976378
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide
CID 102780018
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)piperidine-2-carboxamide
CID 107068555
(4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598109
N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106328633
(2S)-N-(5-propyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 103873136
2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233987
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide
CID 83022374
N-(5-propyl-1H-pyrazol-3-yl)oxane-2-carboxamide
CID 112702851

Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The IUPAC name of N-(5-propyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide (CID 104618202) is N-(5-propyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide.
What is the SMILES notation for N-(5-propyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The canonical SMILES for N-(5-propyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide is CCCc1cc(NC(=O)C2CCNc3ccccc32)n[nH]1.
What is the InChIKey of N-(5-propyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The InChIKey is OHELTVSASDUBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-5-11-10-15(20-19-11)18-16(21)13-8-9-17-14-7-4-3-6-12(13)14/h3-4,6-7,10,13,17H,2,5,8-9H2,1H3,(H2,18,19,20,21).
What are the key properties of N-(5-propyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
N-(5-propyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide is sourced from PubChem (CID 104618202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).