ethyl 4-chloro-3-pyridin-2-yl-1H-pyrazole-5-carboxylate

C11H10ClN3O2 — CID 601590

IUPACethyl 4-chloro-3-pyridin-2-yl-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]nc(-c2ccccn2)c1Cl
InChIInChI=1S/C11H10ClN3O2/c1-2-17-11(16)10-8(12)9(14-15-10)7-5-3-4-6-13-7/h3-6H,2H2,1H3,(H,14,15)
InChIKeyNFJJPCCZWXLJCD-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.30
Rot. Bonds3

About ethyl 4-chloro-3-pyridin-2-yl-1H-pyrazole-5-carboxylate

ethyl 4-chloro-3-pyridin-2-yl-1H-pyrazole-5-carboxylate (PubChem CID 601590) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is ethyl 4-chloro-3-pyridin-2-yl-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-3-pyridin-2-yl-1H-pyrazole-5-carboxylate
PubChem CID601590
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Nameethyl 4-chloro-3-pyridin-2-yl-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]nc(-c2ccccn2)c1Cl
InChIInChI=1S/C11H10ClN3O2/c1-2-17-11(16)10-8(12)9(14-15-10)7-5-3-4-6-13-7/h3-6H,2H2,1H3,(H,14,15)
InChIKeyNFJJPCCZWXLJCD-UHFFFAOYSA-N
XLogP2.30
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2-propoxyanilino)-3-pyridin-2-yl-1H-pyrazole-5-carboxylate
CID 70201144
diethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium
CID 174651960
ethane;ethyl 4-methyl-3-phenyl-1H-pyrazole-5-carboxylate
CID 171093697
ethyl 4-bromo-5-chloro-3-pyridin-2-yl-1H-indole-2-carboxylate
CID 12852038
ethyl 4-chloro-3-(4-nitrophenyl)-1H-pyrazole-5-carboxylate
CID 626447
ethyl 4-(aminomethyl)-3-phenyl-1H-pyrazole-5-carboxylate
CID 91501788
ethyl 5-(4-pyridin-2-ylphenyl)-2H-triazole-4-carboxylate
CID 169399077
ethyl 4-oxo-2H-indeno[1,2-c]pyrazole-3-carboxylate
CID 154276205
ethyl 5-chloro-3-pyrimidin-4-yl-1H-pyrazole-4-carboxylate
CID 23055507
ethyl 4-butoxy-3-phenyl-1H-pyrazole-5-carboxylate
CID 70245232
ethyl pyridine-2-carboxylate
CID 17307
ethyl 3-oxo-5-pyridin-2-ylpyrazole-4-carboxylate
CID 70471541

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-3-pyridin-2-yl-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 4-chloro-3-pyridin-2-yl-1H-pyrazole-5-carboxylate (CID 601590) is ethyl 4-chloro-3-pyridin-2-yl-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 4-chloro-3-pyridin-2-yl-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 4-chloro-3-pyridin-2-yl-1H-pyrazole-5-carboxylate is CCOC(=O)c1[nH]nc(-c2ccccn2)c1Cl.
What is the InChIKey of ethyl 4-chloro-3-pyridin-2-yl-1H-pyrazole-5-carboxylate?
The InChIKey is NFJJPCCZWXLJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-2-17-11(16)10-8(12)9(14-15-10)7-5-3-4-6-13-7/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of ethyl 4-chloro-3-pyridin-2-yl-1H-pyrazole-5-carboxylate?
ethyl 4-chloro-3-pyridin-2-yl-1H-pyrazole-5-carboxylate has a molecular weight of 251.67 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-3-pyridin-2-yl-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 601590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).