quinolin-8-ylmethyl 5-propyl-1H-pyrazole-3-carboxylate

C17H17N3O2 — CID 55562186

IUPACquinolin-8-ylmethyl 5-propyl-1H-pyrazole-3-carboxylate
SMILESCCCc1cc(C(=O)OCc2cccc3cccnc23)n[nH]1
InChIInChI=1S/C17H17N3O2/c1-2-5-14-10-15(20-19-14)17(21)22-11-13-7-3-6-12-8-4-9-18-16(12)13/h3-4,6-10H,2,5,11H2,1H3,(H,19,20)
InChIKeyZSZIUYKRCXUKGW-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.27
Rot. Bonds5

About quinolin-8-ylmethyl 5-propyl-1H-pyrazole-3-carboxylate

quinolin-8-ylmethyl 5-propyl-1H-pyrazole-3-carboxylate (PubChem CID 55562186) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is quinolin-8-ylmethyl 5-propyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Namequinolin-8-ylmethyl 5-propyl-1H-pyrazole-3-carboxylate
PubChem CID55562186
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Namequinolin-8-ylmethyl 5-propyl-1H-pyrazole-3-carboxylate
SMILESCCCc1cc(C(=O)OCc2cccc3cccnc23)n[nH]1
InChIInChI=1S/C17H17N3O2/c1-2-5-14-10-15(20-19-14)17(21)22-11-13-7-3-6-12-8-4-9-18-16(12)13/h3-4,6-10H,2,5,11H2,1H3,(H,19,20)
InChIKeyZSZIUYKRCXUKGW-UHFFFAOYSA-N
XLogP3.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

quinolin-8-ylmethyl 3-hydroxybenzoate
CID 17392700
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 55562307
quinolin-8-ylmethyl 2-amino-3-methylbenzoate
CID 24670923
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 30657196
(5-methyl-1,2-oxazol-3-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 55562184
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 55563304
[2-oxo-2-(prop-2-ynylamino)ethyl] 5-propyl-1H-pyrazole-3-carboxylate
CID 55546370
ethyl 2-quinolin-8-ylacetate
CID 52562898
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 55531590
quinolin-8-ylmethyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646497
2-(3-methylbutoxy)ethyl 5-propyl-1H-pyrazole-3-carboxylate
CID 60554709
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate
CID 55601702

Frequently Asked Questions

What is the IUPAC name of quinolin-8-ylmethyl 5-propyl-1H-pyrazole-3-carboxylate?
The IUPAC name of quinolin-8-ylmethyl 5-propyl-1H-pyrazole-3-carboxylate (CID 55562186) is quinolin-8-ylmethyl 5-propyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for quinolin-8-ylmethyl 5-propyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for quinolin-8-ylmethyl 5-propyl-1H-pyrazole-3-carboxylate is CCCc1cc(C(=O)OCc2cccc3cccnc23)n[nH]1.
What is the InChIKey of quinolin-8-ylmethyl 5-propyl-1H-pyrazole-3-carboxylate?
The InChIKey is ZSZIUYKRCXUKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-5-14-10-15(20-19-14)17(21)22-11-13-7-3-6-12-8-4-9-18-16(12)13/h3-4,6-10H,2,5,11H2,1H3,(H,19,20).
What are the key properties of quinolin-8-ylmethyl 5-propyl-1H-pyrazole-3-carboxylate?
quinolin-8-ylmethyl 5-propyl-1H-pyrazole-3-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-ylmethyl 5-propyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 55562186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).