(1,4-dimethylpyrazol-3-yl)-(3-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone

C15H17N3O2 — CID 154794007

IUPAC(1,4-dimethylpyrazol-3-yl)-(3-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cn(C)nc1C(=O)N1CC(O)Cc2ccccc21
InChIInChI=1S/C15H17N3O2/c1-10-8-17(2)16-14(10)15(20)18-9-12(19)7-11-5-3-4-6-13(11)18/h3-6,8,12,19H,7,9H2,1-2H3
InChIKeyCZYZOWVHQHRDDD-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.29
Rot. Bonds1

About (1,4-dimethylpyrazol-3-yl)-(3-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone

(1,4-dimethylpyrazol-3-yl)-(3-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 154794007) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (1,4-dimethylpyrazol-3-yl)-(3-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(1,4-dimethylpyrazol-3-yl)-(3-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID154794007
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(1,4-dimethylpyrazol-3-yl)-(3-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cn(C)nc1C(=O)N1CC(O)Cc2ccccc21
InChIInChI=1S/C15H17N3O2/c1-10-8-17(2)16-14(10)15(20)18-9-12(19)7-11-5-3-4-6-13(11)18/h3-6,8,12,19H,7,9H2,1-2H3
InChIKeyCZYZOWVHQHRDDD-UHFFFAOYSA-N
XLogP1.29
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1-methylpyrazol-3-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65355538
ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone
CID 145087569
1-(1,3-dimethylpyrazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 103847276
(2-methyl-2,3-dihydroindol-1-yl)-[1-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-4-yl]methanone
CID 44824100
1-methyl-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]pyrazole-4-carboxylic acid
CID 42552584
2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one
CID 71215026
N-(diaminomethylidene)-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride
CID 146027457
(2-aminophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63401608
(2,5-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 114918498
[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone
CID 95598699
1-(3-methylfuran-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902026
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methylfuran-3-yl)methanone
CID 114821989

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpyrazol-3-yl)-(3-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (1,4-dimethylpyrazol-3-yl)-(3-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 154794007) is (1,4-dimethylpyrazol-3-yl)-(3-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (1,4-dimethylpyrazol-3-yl)-(3-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (1,4-dimethylpyrazol-3-yl)-(3-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1cn(C)nc1C(=O)N1CC(O)Cc2ccccc21.
What is the InChIKey of (1,4-dimethylpyrazol-3-yl)-(3-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is CZYZOWVHQHRDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-8-17(2)16-14(10)15(20)18-9-12(19)7-11-5-3-4-6-13(11)18/h3-6,8,12,19H,7,9H2,1-2H3.
What are the key properties of (1,4-dimethylpyrazol-3-yl)-(3-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
(1,4-dimethylpyrazol-3-yl)-(3-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 271.32 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpyrazol-3-yl)-(3-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 154794007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).