ethyl 1-[1-(4-fluorophenyl)-5-phenylpyrazole-4-carbonyl]piperidine-3-carboxylate

C24H24FN3O3 — CID 42818064

IUPACethyl 1-[1-(4-fluorophenyl)-5-phenylpyrazole-4-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-c2ccccc2)C1
InChIInChI=1S/C24H24FN3O3/c1-2-31-24(30)18-9-6-14-27(16-18)23(29)21-15-26-28(20-12-10-19(25)11-13-20)22(21)17-7-4-3-5-8-17/h3-5,7-8,10-13,15,18H,2,6,9,14,16H2,1H3
InChIKeyDHAZRSATHBTJET-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.09
Rot. Bonds5

About ethyl 1-[1-(4-fluorophenyl)-5-phenylpyrazole-4-carbonyl]piperidine-3-carboxylate

ethyl 1-[1-(4-fluorophenyl)-5-phenylpyrazole-4-carbonyl]piperidine-3-carboxylate (PubChem CID 42818064) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is ethyl 1-[1-(4-fluorophenyl)-5-phenylpyrazole-4-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(4-fluorophenyl)-5-phenylpyrazole-4-carbonyl]piperidine-3-carboxylate
PubChem CID42818064
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Nameethyl 1-[1-(4-fluorophenyl)-5-phenylpyrazole-4-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-c2ccccc2)C1
InChIInChI=1S/C24H24FN3O3/c1-2-31-24(30)18-9-6-14-27(16-18)23(29)21-15-26-28(20-12-10-19(25)11-13-20)22(21)17-7-4-3-5-8-17/h3-5,7-8,10-13,15,18H,2,6,9,14,16H2,1H3
InChIKeyDHAZRSATHBTJET-UHFFFAOYSA-N
XLogP4.09
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(4-fluorophenyl)-5-phenylpyrazole-4-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[1-(4-fluorophenyl)-5-phenylpyrazole-4-carbonyl]piperidine-3-carboxylate (CID 42818064) is ethyl 1-[1-(4-fluorophenyl)-5-phenylpyrazole-4-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[1-(4-fluorophenyl)-5-phenylpyrazole-4-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[1-(4-fluorophenyl)-5-phenylpyrazole-4-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-c2ccccc2)C1.
What is the InChIKey of ethyl 1-[1-(4-fluorophenyl)-5-phenylpyrazole-4-carbonyl]piperidine-3-carboxylate?
The InChIKey is DHAZRSATHBTJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-2-31-24(30)18-9-6-14-27(16-18)23(29)21-15-26-28(20-12-10-19(25)11-13-20)22(21)17-7-4-3-5-8-17/h3-5,7-8,10-13,15,18H,2,6,9,14,16H2,1H3.
What are the key properties of ethyl 1-[1-(4-fluorophenyl)-5-phenylpyrazole-4-carbonyl]piperidine-3-carboxylate?
ethyl 1-[1-(4-fluorophenyl)-5-phenylpyrazole-4-carbonyl]piperidine-3-carboxylate has a molecular weight of 421.47 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(4-fluorophenyl)-5-phenylpyrazole-4-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 42818064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).