ethyl 1-(4-chlorophenyl)-5-propylpyrazole-4-carboxylate

C15H17ClN2O2 — CID 2777581

IUPACethyl 1-(4-chlorophenyl)-5-propylpyrazole-4-carboxylate
SMILESCCCc1c(C(=O)OCC)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2/c1-3-5-14-13(15(19)20-4-2)10-17-18(14)12-8-6-11(16)7-9-12/h6-10H,3-5H2,1-2H3
InChIKeyFHEOHDCVJDCEKF-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.65
Rot. Bonds5

About ethyl 1-(4-chlorophenyl)-5-propylpyrazole-4-carboxylate

ethyl 1-(4-chlorophenyl)-5-propylpyrazole-4-carboxylate (PubChem CID 2777581) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is ethyl 1-(4-chlorophenyl)-5-propylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-chlorophenyl)-5-propylpyrazole-4-carboxylate
PubChem CID2777581
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Nameethyl 1-(4-chlorophenyl)-5-propylpyrazole-4-carboxylate
SMILESCCCc1c(C(=O)OCC)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2/c1-3-5-14-13(15(19)20-4-2)10-17-18(14)12-8-6-11(16)7-9-12/h6-10H,3-5H2,1-2H3
InChIKeyFHEOHDCVJDCEKF-UHFFFAOYSA-N
XLogP3.65
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-chlorophenyl)-5-propylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(4-chlorophenyl)-5-propylpyrazole-4-carboxylate (CID 2777581) is ethyl 1-(4-chlorophenyl)-5-propylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-chlorophenyl)-5-propylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(4-chlorophenyl)-5-propylpyrazole-4-carboxylate is CCCc1c(C(=O)OCC)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of ethyl 1-(4-chlorophenyl)-5-propylpyrazole-4-carboxylate?
The InChIKey is FHEOHDCVJDCEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-5-14-13(15(19)20-4-2)10-17-18(14)12-8-6-11(16)7-9-12/h6-10H,3-5H2,1-2H3.
What are the key properties of ethyl 1-(4-chlorophenyl)-5-propylpyrazole-4-carboxylate?
ethyl 1-(4-chlorophenyl)-5-propylpyrazole-4-carboxylate has a molecular weight of 292.77 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-chlorophenyl)-5-propylpyrazole-4-carboxylate is sourced from PubChem (CID 2777581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).