methyl 3-[5-(oxan-4-yl)-1H-pyrazol-4-yl]propanoate

C12H18N2O3 — CID 121212036

IUPACmethyl 3-[5-(oxan-4-yl)-1H-pyrazol-4-yl]propanoate
SMILESCOC(=O)CCc1cn[nH]c1C1CCOCC1
InChIInChI=1S/C12H18N2O3/c1-16-11(15)3-2-10-8-13-14-12(10)9-4-6-17-7-5-9/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyZMSNOAZURZCWDT-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.41
Rot. Bonds4

About methyl 3-[5-(oxan-4-yl)-1H-pyrazol-4-yl]propanoate

methyl 3-[5-(oxan-4-yl)-1H-pyrazol-4-yl]propanoate (PubChem CID 121212036) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 3-[5-(oxan-4-yl)-1H-pyrazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[5-(oxan-4-yl)-1H-pyrazol-4-yl]propanoate
PubChem CID121212036
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namemethyl 3-[5-(oxan-4-yl)-1H-pyrazol-4-yl]propanoate
SMILESCOC(=O)CCc1cn[nH]c1C1CCOCC1
InChIInChI=1S/C12H18N2O3/c1-16-11(15)3-2-10-8-13-14-12(10)9-4-6-17-7-5-9/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyZMSNOAZURZCWDT-UHFFFAOYSA-N
XLogP1.41
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(oxan-4-yl)-1H-pyrazol-4-yl]methanol
CID 121212017
1-[5-(oxan-4-yl)-1H-pyrazol-4-yl]ethanone
CID 105448069
3-(5-cyclopentyl-1H-pyrazol-4-yl)propanamide
CID 121212041
4-methyl-5-(oxan-4-yl)-1H-pyrazole
CID 144872646
methyl 3-[5-(furan-3-yl)-1H-pyrazol-4-yl]propanoate
CID 121212621
methyl 3-(6-oxo-1H-pyridazin-4-yl)propanoate
CID 174467407
2-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylethanamine
CID 105438351
4-bromo-5-(oxan-4-yl)-1H-pyrazole
CID 83711956
1-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylmethanamine
CID 105432804
5-(oxan-4-yl)-1H-pyrazole-4-carbaldehyde
CID 82409142
N-(4-ethyl-1H-pyrazol-5-yl)oxane-4-carboxamide
CID 115680700
methyl 3-(oxan-4-yl)propanoate
CID 55296577

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(oxan-4-yl)-1H-pyrazol-4-yl]propanoate?
The IUPAC name of methyl 3-[5-(oxan-4-yl)-1H-pyrazol-4-yl]propanoate (CID 121212036) is methyl 3-[5-(oxan-4-yl)-1H-pyrazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[5-(oxan-4-yl)-1H-pyrazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[5-(oxan-4-yl)-1H-pyrazol-4-yl]propanoate is COC(=O)CCc1cn[nH]c1C1CCOCC1.
What is the InChIKey of methyl 3-[5-(oxan-4-yl)-1H-pyrazol-4-yl]propanoate?
The InChIKey is ZMSNOAZURZCWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-16-11(15)3-2-10-8-13-14-12(10)9-4-6-17-7-5-9/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of methyl 3-[5-(oxan-4-yl)-1H-pyrazol-4-yl]propanoate?
methyl 3-[5-(oxan-4-yl)-1H-pyrazol-4-yl]propanoate has a molecular weight of 238.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(oxan-4-yl)-1H-pyrazol-4-yl]propanoate is sourced from PubChem (CID 121212036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).