ethyl 5-amino-1-(5-chloro-2-pyridinyl)pyrazole-4-carboxylate

C11H11ClN4O2 — CID 19839370

IUPACethyl 5-amino-1-(5-chloro-2-pyridinyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(Cl)cn2)c1N
InChIInChI=1S/C11H11ClN4O2/c1-2-18-11(17)8-6-15-16(10(8)13)9-4-3-7(12)5-14-9/h3-6H,2,13H2,1H3
InChIKeyRJRFWQPKYSBYGG-UHFFFAOYSA-N
MW266.69 g/mol
LogP1.68
Rot. Bonds3

About ethyl 5-amino-1-(5-chloro-2-pyridinyl)pyrazole-4-carboxylate

ethyl 5-amino-1-(5-chloro-2-pyridinyl)pyrazole-4-carboxylate (PubChem CID 19839370) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is ethyl 5-amino-1-(5-chloro-2-pyridinyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(5-chloro-2-pyridinyl)pyrazole-4-carboxylate
PubChem CID19839370
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Nameethyl 5-amino-1-(5-chloro-2-pyridinyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(Cl)cn2)c1N
InChIInChI=1S/C11H11ClN4O2/c1-2-18-11(17)8-6-15-16(10(8)13)9-4-3-7(12)5-14-9/h3-6H,2,13H2,1H3
InChIKeyRJRFWQPKYSBYGG-UHFFFAOYSA-N
XLogP1.68
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(5-chloro-2-pyridinyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(5-chloro-2-pyridinyl)pyrazole-4-carboxylate (CID 19839370) is ethyl 5-amino-1-(5-chloro-2-pyridinyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(5-chloro-2-pyridinyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(5-chloro-2-pyridinyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(Cl)cn2)c1N.
What is the InChIKey of ethyl 5-amino-1-(5-chloro-2-pyridinyl)pyrazole-4-carboxylate?
The InChIKey is RJRFWQPKYSBYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-2-18-11(17)8-6-15-16(10(8)13)9-4-3-7(12)5-14-9/h3-6H,2,13H2,1H3.
What are the key properties of ethyl 5-amino-1-(5-chloro-2-pyridinyl)pyrazole-4-carboxylate?
ethyl 5-amino-1-(5-chloro-2-pyridinyl)pyrazole-4-carboxylate has a molecular weight of 266.69 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(5-chloro-2-pyridinyl)pyrazole-4-carboxylate is sourced from PubChem (CID 19839370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).