N-(1-pyrazol-1-ylpropan-2-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide

C16H20N4O — CID 62213653

IUPACN-(1-pyrazol-1-ylpropan-2-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCC(Cn1cccn1)NC(=O)c1cccc2c1NCCC2
InChIInChI=1S/C16H20N4O/c1-12(11-20-10-4-9-18-20)19-16(21)14-7-2-5-13-6-3-8-17-15(13)14/h2,4-5,7,9-10,12,17H,3,6,8,11H2,1H3,(H,19,21)
InChIKeySDUIDHWBNQXEII-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.06
Rot. Bonds4

About N-(1-pyrazol-1-ylpropan-2-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide

N-(1-pyrazol-1-ylpropan-2-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide (PubChem CID 62213653) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(1-pyrazol-1-ylpropan-2-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(1-pyrazol-1-ylpropan-2-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
PubChem CID62213653
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(1-pyrazol-1-ylpropan-2-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCC(Cn1cccn1)NC(=O)c1cccc2c1NCCC2
InChIInChI=1S/C16H20N4O/c1-12(11-20-10-4-9-18-20)19-16(21)14-7-2-5-13-6-3-8-17-15(13)14/h2,4-5,7,9-10,12,17H,3,6,8,11H2,1H3,(H,19,21)
InChIKeySDUIDHWBNQXEII-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603
2-(ethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 62178733
3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103994641
N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 65041181
N-(2,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 64599539
N-methyl-1,2,3,4-tetrahydroquinoline-8-carboxamide;hydrochloride
CID 146675579
N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 126428818
N-butyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62213109
2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459775
2-morpholin-4-yl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyridine-3-carboxamide
CID 94028646
2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459501
4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43695373

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrazol-1-ylpropan-2-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-(1-pyrazol-1-ylpropan-2-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide (CID 62213653) is N-(1-pyrazol-1-ylpropan-2-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-(1-pyrazol-1-ylpropan-2-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-(1-pyrazol-1-ylpropan-2-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide is CC(Cn1cccn1)NC(=O)c1cccc2c1NCCC2.
What is the InChIKey of N-(1-pyrazol-1-ylpropan-2-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The InChIKey is SDUIDHWBNQXEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12(11-20-10-4-9-18-20)19-16(21)14-7-2-5-13-6-3-8-17-15(13)14/h2,4-5,7,9-10,12,17H,3,6,8,11H2,1H3,(H,19,21).
What are the key properties of N-(1-pyrazol-1-ylpropan-2-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
N-(1-pyrazol-1-ylpropan-2-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrazol-1-ylpropan-2-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 62213653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).