ethyl 5-chloro-1-pyrimidin-2-ylpyrazole-4-carboxylate

C10H9ClN4O2 — CID 19839439

IUPACethyl 5-chloro-1-pyrimidin-2-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ncccn2)c1Cl
InChIInChI=1S/C10H9ClN4O2/c1-2-17-9(16)7-6-14-15(8(7)11)10-12-4-3-5-13-10/h3-6H,2H2,1H3
InChIKeyUKKSJVLNBFGXMA-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.49
Rot. Bonds3

About ethyl 5-chloro-1-pyrimidin-2-ylpyrazole-4-carboxylate

ethyl 5-chloro-1-pyrimidin-2-ylpyrazole-4-carboxylate (PubChem CID 19839439) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is ethyl 5-chloro-1-pyrimidin-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-1-pyrimidin-2-ylpyrazole-4-carboxylate
PubChem CID19839439
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Nameethyl 5-chloro-1-pyrimidin-2-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ncccn2)c1Cl
InChIInChI=1S/C10H9ClN4O2/c1-2-17-9(16)7-6-14-15(8(7)11)10-12-4-3-5-13-10/h3-6H,2H2,1H3
InChIKeyUKKSJVLNBFGXMA-UHFFFAOYSA-N
XLogP1.49
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-chloro-1-(3-methylphenyl)pyrazole-4-carboxylate
CID 21289675
ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate
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ethyl 5-chloro-1-(3-ethylphenyl)pyrazole-4-carboxylate
CID 21289696
ethyl 5-chloro-1-(3-chloro-2-fluorophenyl)pyrazole-4-carboxylate
CID 170994647
ethyl 1-butan-2-yl-5-chloropyrazole-4-carboxylate
CID 172748039
ethyl 3,7-dichloropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 131526354
ethyl 5-amino-1-(2-chlorophenyl)pyrazole-4-carboxylate
CID 3376846
ethyl 1-(2-chloro-3-methyl-4-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 146285563
ethyl 1-(3,5-dichloro-4-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 146285471
ethyl 1-(4-chlorophenyl)-5-(difluoromethyl)pyrazole-4-carboxylate
CID 63235067
ethyl 5-methyl-1-(4-phenylmethoxypyrimidin-2-yl)pyrazole-4-carboxylate
CID 70030924
ethyl 2-indazol-1-ylpyridine-3-carboxylate
CID 66720157

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-1-pyrimidin-2-ylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-chloro-1-pyrimidin-2-ylpyrazole-4-carboxylate (CID 19839439) is ethyl 5-chloro-1-pyrimidin-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-chloro-1-pyrimidin-2-ylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-chloro-1-pyrimidin-2-ylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ncccn2)c1Cl.
What is the InChIKey of ethyl 5-chloro-1-pyrimidin-2-ylpyrazole-4-carboxylate?
The InChIKey is UKKSJVLNBFGXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-2-17-9(16)7-6-14-15(8(7)11)10-12-4-3-5-13-10/h3-6H,2H2,1H3.
What are the key properties of ethyl 5-chloro-1-pyrimidin-2-ylpyrazole-4-carboxylate?
ethyl 5-chloro-1-pyrimidin-2-ylpyrazole-4-carboxylate has a molecular weight of 252.66 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-1-pyrimidin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 19839439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).