ethyl 2-(4,5-dihydro-1H-pyrazol-3-yl)pyridine-3-carboxylate

C11H13N3O2 — CID 67712315

IUPACethyl 2-(4,5-dihydro-1H-pyrazol-3-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1C1=NNCC1
InChIInChI=1S/C11H13N3O2/c1-2-16-11(15)8-4-3-6-12-10(8)9-5-7-13-14-9/h3-4,6,13H,2,5,7H2,1H3
InChIKeySYYCCWNCSXLTDR-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.96
Rot. Bonds3

About ethyl 2-(4,5-dihydro-1H-pyrazol-3-yl)pyridine-3-carboxylate

ethyl 2-(4,5-dihydro-1H-pyrazol-3-yl)pyridine-3-carboxylate (PubChem CID 67712315) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl 2-(4,5-dihydro-1H-pyrazol-3-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4,5-dihydro-1H-pyrazol-3-yl)pyridine-3-carboxylate
PubChem CID67712315
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Nameethyl 2-(4,5-dihydro-1H-pyrazol-3-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1C1=NNCC1
InChIInChI=1S/C11H13N3O2/c1-2-16-11(15)8-4-3-6-12-10(8)9-5-7-13-14-9/h3-4,6,13H,2,5,7H2,1H3
InChIKeySYYCCWNCSXLTDR-UHFFFAOYSA-N
XLogP0.96
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate
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ethyl 9H-pyrido[2,3-b]indole-8-carboxylate
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ethyl 2-(2-iodo-1,3-thiazol-4-yl)pyridine-3-carboxylate
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ethyl 2-ethynylpyridine-3-carboxylate
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ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,5-dihydro-1H-pyrazol-3-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(4,5-dihydro-1H-pyrazol-3-yl)pyridine-3-carboxylate (CID 67712315) is ethyl 2-(4,5-dihydro-1H-pyrazol-3-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(4,5-dihydro-1H-pyrazol-3-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(4,5-dihydro-1H-pyrazol-3-yl)pyridine-3-carboxylate is CCOC(=O)c1cccnc1C1=NNCC1.
What is the InChIKey of ethyl 2-(4,5-dihydro-1H-pyrazol-3-yl)pyridine-3-carboxylate?
The InChIKey is SYYCCWNCSXLTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-16-11(15)8-4-3-6-12-10(8)9-5-7-13-14-9/h3-4,6,13H,2,5,7H2,1H3.
What are the key properties of ethyl 2-(4,5-dihydro-1H-pyrazol-3-yl)pyridine-3-carboxylate?
ethyl 2-(4,5-dihydro-1H-pyrazol-3-yl)pyridine-3-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,5-dihydro-1H-pyrazol-3-yl)pyridine-3-carboxylate is sourced from PubChem (CID 67712315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).