oxolan-2-ylmethyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate

C16H18ClN3O4 — CID 174197198

IUPACoxolan-2-ylmethyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
SMILESCn1nc(OCC(=O)OCC2CCCO2)cc1-c1ccc(Cl)cn1
InChIInChI=1S/C16H18ClN3O4/c1-20-14(13-5-4-11(17)8-18-13)7-15(19-20)23-10-16(21)24-9-12-3-2-6-22-12/h4-5,7-8,12H,2-3,6,9-10H2,1H3
InChIKeyKLHJJKGKUBMXDN-UHFFFAOYSA-N
MW351.79 g/mol
LogP2.24
Rot. Bonds6

About oxolan-2-ylmethyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate

oxolan-2-ylmethyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate (PubChem CID 174197198) has the molecular formula C16H18ClN3O4 and a molecular weight of 351.79 g/mol. Its IUPAC name is oxolan-2-ylmethyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
PubChem CID174197198
Molecular FormulaC16H18ClN3O4
Molecular Weight351.79 g/mol
Exact Mass351.10
IUPAC Nameoxolan-2-ylmethyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
SMILESCn1nc(OCC(=O)OCC2CCCO2)cc1-c1ccc(Cl)cn1
InChIInChI=1S/C16H18ClN3O4/c1-20-14(13-5-4-11(17)8-18-13)7-15(19-20)23-10-16(21)24-9-12-3-2-6-22-12/h4-5,7-8,12H,2-3,6,9-10H2,1H3
InChIKeyKLHJJKGKUBMXDN-UHFFFAOYSA-N
XLogP2.24
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[5-(5-chloro-2-pyridinyl)-1-hydroxypyrazol-3-yl]oxyacetate
CID 174197848
oxolan-3-ylmethyl 2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 167065109
[(2R)-oxolan-2-yl]methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
CID 54271602
oxan-2-ylmethyl 2-(4-acetylphenoxy)acetate
CID 86976925
ethyl 2-[5-(5-chloro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
CID 174197181
oxan-2-ylmethyl 2-(4-bromophenoxy)acetate
CID 78769379
oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate
CID 60704497
(2R)-N-[(5-chloro-2-pyridinyl)sulfonyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 99807154
5-chloro-2-(2,5-dimethylpyrazol-3-yl)pyridine
CID 167062904
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
oxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate
CID 63841492
5-(4-chlorophenyl)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 92613543

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate?
The IUPAC name of oxolan-2-ylmethyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate (CID 174197198) is oxolan-2-ylmethyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate.
What is the SMILES notation for oxolan-2-ylmethyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate?
The canonical SMILES for oxolan-2-ylmethyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate is Cn1nc(OCC(=O)OCC2CCCO2)cc1-c1ccc(Cl)cn1.
What is the InChIKey of oxolan-2-ylmethyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate?
The InChIKey is KLHJJKGKUBMXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4/c1-20-14(13-5-4-11(17)8-18-13)7-15(19-20)23-10-16(21)24-9-12-3-2-6-22-12/h4-5,7-8,12H,2-3,6,9-10H2,1H3.
What are the key properties of oxolan-2-ylmethyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate?
oxolan-2-ylmethyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate has a molecular weight of 351.79 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate is sourced from PubChem (CID 174197198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).