ethyl 3-pyrazol-1-ylpyridine-2-carboxylate

C11H11N3O2 — CID 141444753

IUPACethyl 3-pyrazol-1-ylpyridine-2-carboxylate
SMILESCCOC(=O)c1ncccc1-n1cccn1
InChIInChI=1S/C11H11N3O2/c1-2-16-11(15)10-9(5-3-6-12-10)14-8-4-7-13-14/h3-8H,2H2,1H3
InChIKeyBTXDXJQZXRHMSN-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.44
Rot. Bonds3

About ethyl 3-pyrazol-1-ylpyridine-2-carboxylate

ethyl 3-pyrazol-1-ylpyridine-2-carboxylate (PubChem CID 141444753) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is ethyl 3-pyrazol-1-ylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-pyrazol-1-ylpyridine-2-carboxylate
PubChem CID141444753
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Nameethyl 3-pyrazol-1-ylpyridine-2-carboxylate
SMILESCCOC(=O)c1ncccc1-n1cccn1
InChIInChI=1S/C11H11N3O2/c1-2-16-11(15)10-9(5-3-6-12-10)14-8-4-7-13-14/h3-8H,2H2,1H3
InChIKeyBTXDXJQZXRHMSN-UHFFFAOYSA-N
XLogP1.44
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-aminopyridine-2-carboxylate
CID 565054
ethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate
CID 117367533
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
ethyl 3-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168687501
2-ethoxy-6-pyrazol-1-ylbenzoic acid
CID 150534802
ethyl 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methoxy]pyrazole-3-carboxylate
CID 56528108
ethyl 3-(6-amino-2-pyridinyl)pyridine-2-carboxylate;hydrochloride
CID 23437677
N-aminohydroxylamine;ethyl 4-pyrazol-1-ylbenzoate;4-pyrazol-1-ylbenzohydrazide
CID 157086437
ethyl 3-(cyclopropylmethoxy)pyridine-2-carboxylate
CID 133080995
3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide
CID 91773190
ethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate
CID 103094737

Frequently Asked Questions

What is the IUPAC name of ethyl 3-pyrazol-1-ylpyridine-2-carboxylate?
The IUPAC name of ethyl 3-pyrazol-1-ylpyridine-2-carboxylate (CID 141444753) is ethyl 3-pyrazol-1-ylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-pyrazol-1-ylpyridine-2-carboxylate?
The canonical SMILES for ethyl 3-pyrazol-1-ylpyridine-2-carboxylate is CCOC(=O)c1ncccc1-n1cccn1.
What is the InChIKey of ethyl 3-pyrazol-1-ylpyridine-2-carboxylate?
The InChIKey is BTXDXJQZXRHMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-2-16-11(15)10-9(5-3-6-12-10)14-8-4-7-13-14/h3-8H,2H2,1H3.
What are the key properties of ethyl 3-pyrazol-1-ylpyridine-2-carboxylate?
ethyl 3-pyrazol-1-ylpyridine-2-carboxylate has a molecular weight of 217.23 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-pyrazol-1-ylpyridine-2-carboxylate is sourced from PubChem (CID 141444753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).