methyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate

C12H13N3O2 — CID 121212172

IUPACmethyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate
SMILESCOC(=O)CCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C12H13N3O2/c1-17-11(16)5-4-10-8-14-15-12(10)9-3-2-6-13-7-9/h2-3,6-8H,4-5H2,1H3,(H,14,15)
InChIKeyAPVTZGSXECUBMU-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.58
Rot. Bonds4

About methyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate

methyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate (PubChem CID 121212172) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is methyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate
PubChem CID121212172
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Namemethyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate
SMILESCOC(=O)CCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C12H13N3O2/c1-17-11(16)5-4-10-8-14-15-12(10)9-3-2-6-13-7-9/h2-3,6-8H,4-5H2,1H3,(H,14,15)
InChIKeyAPVTZGSXECUBMU-UHFFFAOYSA-N
XLogP1.58
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate
CID 43756904
methyl 3-[5-(furan-3-yl)-1H-pyrazol-4-yl]propanoate
CID 121212621
(5-pyridin-3-yl-1H-pyrazol-4-yl)methanol
CID 43753528
ethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanoate
CID 61498623
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid
CID 23006026
N,N-dimethyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 43778170
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43756710
methyl 8-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)octanoate
CID 70528899
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 61167800
3-(5-phenyl-1H-pyrazol-4-yl)propanamide
CID 121212688
N-ethyl-N-methyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 103107422

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate?
The IUPAC name of methyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate (CID 121212172) is methyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate.
What is the SMILES notation for methyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate?
The canonical SMILES for methyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate is COC(=O)CCc1cn[nH]c1-c1cccnc1.
What is the InChIKey of methyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate?
The InChIKey is APVTZGSXECUBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-17-11(16)5-4-10-8-14-15-12(10)9-3-2-6-13-7-9/h2-3,6-8H,4-5H2,1H3,(H,14,15).
What are the key properties of methyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate?
methyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate has a molecular weight of 231.26 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate is sourced from PubChem (CID 121212172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).