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

C11H12N2O3 — CID 121212621

IUPACmethyl 3-[5-(furan-3-yl)-1H-pyrazol-4-yl]propanoate
SMILESCOC(=O)CCc1cn[nH]c1-c1ccoc1
InChIInChI=1S/C11H12N2O3/c1-15-10(14)3-2-8-6-12-13-11(8)9-4-5-16-7-9/h4-7H,2-3H2,1H3,(H,12,13)
InChIKeyCMPSYAQECWICKR-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.78
Rot. Bonds4

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

methyl 3-[5-(furan-3-yl)-1H-pyrazol-4-yl]propanoate (PubChem CID 121212621) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 3-[5-(furan-3-yl)-1H-pyrazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[5-(furan-3-yl)-1H-pyrazol-4-yl]propanoate
PubChem CID121212621
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl 3-[5-(furan-3-yl)-1H-pyrazol-4-yl]propanoate
SMILESCOC(=O)CCc1cn[nH]c1-c1ccoc1
InChIInChI=1S/C11H12N2O3/c1-15-10(14)3-2-8-6-12-13-11(8)9-4-5-16-7-9/h4-7H,2-3H2,1H3,(H,12,13)
InChIKeyCMPSYAQECWICKR-UHFFFAOYSA-N
XLogP1.78
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate
CID 121212172
3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid
CID 23006026
methyl 3-[5-(oxan-4-yl)-1H-pyrazol-4-yl]propanoate
CID 121212036
N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-5-(furan-3-yl)-1H-pyrazole-4-carboxamide
CID 122151169
ethyl 3-[5-(4-hexylphenyl)-1H-pyrazol-4-yl]propanoate
CID 15728898
3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid
CID 39096208
methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 60712516
[5-(furan-3-yl)-1H-pyrazol-4-yl]-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 166230451
methyl 3-(6-oxo-1H-pyridazin-4-yl)propanoate
CID 174467407
methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate
CID 43756904
methyl 3-[[(4-ethylphenyl)methyl-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]carbamoyl]amino]propanoate
CID 46271118
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 122560013

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(furan-3-yl)-1H-pyrazol-4-yl]propanoate?
The IUPAC name of methyl 3-[5-(furan-3-yl)-1H-pyrazol-4-yl]propanoate (CID 121212621) is methyl 3-[5-(furan-3-yl)-1H-pyrazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[5-(furan-3-yl)-1H-pyrazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[5-(furan-3-yl)-1H-pyrazol-4-yl]propanoate is COC(=O)CCc1cn[nH]c1-c1ccoc1.
What is the InChIKey of methyl 3-[5-(furan-3-yl)-1H-pyrazol-4-yl]propanoate?
The InChIKey is CMPSYAQECWICKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-15-10(14)3-2-8-6-12-13-11(8)9-4-5-16-7-9/h4-7H,2-3H2,1H3,(H,12,13).
What are the key properties of methyl 3-[5-(furan-3-yl)-1H-pyrazol-4-yl]propanoate?
methyl 3-[5-(furan-3-yl)-1H-pyrazol-4-yl]propanoate has a molecular weight of 220.23 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(furan-3-yl)-1H-pyrazol-4-yl]propanoate is sourced from PubChem (CID 121212621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).