3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one

C16H19N3O — CID 103023537

IUPAC3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
SMILESCn1nccc1CCC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H19N3O/c1-19-14(8-10-18-19)5-7-16(20)13-4-6-15-12(11-13)3-2-9-17-15/h4,6,8,10-11,17H,2-3,5,7,9H2,1H3
InChIKeyDJYCFTWYYHAPGG-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.59
Rot. Bonds4

About 3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one

3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one (PubChem CID 103023537) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
PubChem CID103023537
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
SMILESCn1nccc1CCC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H19N3O/c1-19-14(8-10-18-19)5-7-16(20)13-4-6-15-12(11-13)3-2-9-17-15/h4,6,8,10-11,17H,2-3,5,7,9H2,1H3
InChIKeyDJYCFTWYYHAPGG-UHFFFAOYSA-N
XLogP2.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylpiperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 93191629
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024345
1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one
CID 116554411
3-(diethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 82050719
N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 63303324
2-(propan-2-ylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257733
1-(3-amino-5-bromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103023983
N-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 83015501
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
CID 39163742
2-[(4-methylphenyl)methylamino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257747
2-(2-morpholin-4-ylethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257745

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one (CID 103023537) is 3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one is Cn1nccc1CCC(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one?
The InChIKey is DJYCFTWYYHAPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19-14(8-10-18-19)5-7-16(20)13-4-6-15-12(11-13)3-2-9-17-15/h4,6,8,10-11,17H,2-3,5,7,9H2,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one?
3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one has a molecular weight of 269.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one is sourced from PubChem (CID 103023537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).