ethyl 3-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)propanoate

C14H17N3O2 — CID 167062778

IUPACethyl 3-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)propanoate
SMILESCCOC(=O)CCc1cc(-c2ccccn2)n(C)n1
InChIInChI=1S/C14H17N3O2/c1-3-19-14(18)8-7-11-10-13(17(2)16-11)12-6-4-5-9-15-12/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyRUXNLKBZFMSXDC-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.98
Rot. Bonds5

About ethyl 3-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)propanoate

ethyl 3-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)propanoate (PubChem CID 167062778) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 3-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)propanoate
PubChem CID167062778
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Nameethyl 3-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)propanoate
SMILESCCOC(=O)CCc1cc(-c2ccccn2)n(C)n1
InChIInChI=1S/C14H17N3O2/c1-3-19-14(18)8-7-11-10-13(17(2)16-11)12-6-4-5-9-15-12/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyRUXNLKBZFMSXDC-UHFFFAOYSA-N
XLogP1.98
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
CID 90555819
3-(4-methoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide
CID 90555638
1-benzyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
CID 90555827
2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555807
ethyl 3-pyridin-2-ylindolizine-1-carboxylate
CID 154722576
2-benzylsulfanyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide
CID 71797633
2-(2,4-dichlorophenoxy)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide
CID 71797643
1-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea
CID 90555843
methyl 3-[1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]propanoate
CID 167062787
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-phenylbenzamide
CID 90555675
ethyl 12-pyridin-2-yldodecanoate
CID 3298183
4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555753

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)propanoate?
The IUPAC name of ethyl 3-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)propanoate (CID 167062778) is ethyl 3-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)propanoate?
The canonical SMILES for ethyl 3-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)propanoate is CCOC(=O)CCc1cc(-c2ccccn2)n(C)n1.
What is the InChIKey of ethyl 3-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)propanoate?
The InChIKey is RUXNLKBZFMSXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-19-14(18)8-7-11-10-13(17(2)16-11)12-6-4-5-9-15-12/h4-6,9-10H,3,7-8H2,1-2H3.
What are the key properties of ethyl 3-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)propanoate?
ethyl 3-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)propanoate has a molecular weight of 259.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)propanoate is sourced from PubChem (CID 167062778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).