1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carbaldehyde

C15H13N3O2 — CID 107314064

IUPAC1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carbaldehyde
SMILESCc1nn(C)c(Oc2ccc3cccnc3c2)c1C=O
InChIInChI=1S/C15H13N3O2/c1-10-13(9-19)15(18(2)17-10)20-12-6-5-11-4-3-7-16-14(11)8-12/h3-9H,1-2H3
InChIKeyOQCRGWIWJRDGAG-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.88
Rot. Bonds3

About 1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carbaldehyde

1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carbaldehyde (PubChem CID 107314064) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carbaldehyde
PubChem CID107314064
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carbaldehyde
SMILESCc1nn(C)c(Oc2ccc3cccnc3c2)c1C=O
InChIInChI=1S/C15H13N3O2/c1-10-13(9-19)15(18(2)17-10)20-12-6-5-11-4-3-7-16-14(11)8-12/h3-9H,1-2H3
InChIKeyOQCRGWIWJRDGAG-UHFFFAOYSA-N
XLogP2.88
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carboxylic acid
CID 107314073
1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazole-4-carbaldehyde
CID 62074801
5-(3-ethyl-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carbaldehyde
CID 170253834
5-chloro-1,3-dimethylpyrazole-4-carbaldehyde;3,4-dichlorophenol;5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazole-4-carbaldehyde
CID 160509617
1,3-dimethyl-5-(2-phenoxyethoxy)pyrazole-4-carbaldehyde
CID 46398481
7-pyridin-4-yloxyquinoline
CID 141187990
1-(4-quinolin-7-yloxyphenyl)ethanone
CID 107313857
3-quinolin-7-yloxypropanal
CID 107314214
N,2-dimethyl-6-quinolin-7-yloxypyrimidin-4-amine
CID 107315911
4-methyl-6-quinolin-7-yloxypyrimidin-2-amine
CID 107315905
(2-methyl-4-quinolin-7-yloxyphenyl)methanol
CID 107314118
2-methyl-6-quinolin-7-yloxypyrimidin-4-amine
CID 107315849

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carbaldehyde?
The IUPAC name of 1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carbaldehyde (CID 107314064) is 1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carbaldehyde.
What is the SMILES notation for 1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carbaldehyde?
The canonical SMILES for 1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carbaldehyde is Cc1nn(C)c(Oc2ccc3cccnc3c2)c1C=O.
What is the InChIKey of 1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carbaldehyde?
The InChIKey is OQCRGWIWJRDGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-13(9-19)15(18(2)17-10)20-12-6-5-11-4-3-7-16-14(11)8-12/h3-9H,1-2H3.
What are the key properties of 1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carbaldehyde?
1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carbaldehyde has a molecular weight of 267.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carbaldehyde is sourced from PubChem (CID 107314064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).