ethyl 4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylate

C17H19FN4O3 — CID 19515181

IUPACethyl 4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1
InChIInChI=1S/C17H19FN4O3/c1-2-25-17(24)22-9-7-21(8-10-22)16(23)15-11-14(19-20-15)12-3-5-13(18)6-4-12/h3-6,11H,2,7-10H2,1H3,(H,19,20)
InChIKeyLGZXZJVEZZTPFK-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.13
Rot. Bonds3

About ethyl 4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylate

ethyl 4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylate (PubChem CID 19515181) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is ethyl 4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylate
PubChem CID19515181
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Nameethyl 4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1
InChIInChI=1S/C17H19FN4O3/c1-2-25-17(24)22-9-7-21(8-10-22)16(23)15-11-14(19-20-15)12-3-5-13(18)6-4-12/h3-6,11H,2,7-10H2,1H3,(H,19,20)
InChIKeyLGZXZJVEZZTPFK-UHFFFAOYSA-N
XLogP2.13
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylate (CID 19515181) is ethyl 4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1.
What is the InChIKey of ethyl 4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylate?
The InChIKey is LGZXZJVEZZTPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-2-25-17(24)22-9-7-21(8-10-22)16(23)15-11-14(19-20-15)12-3-5-13(18)6-4-12/h3-6,11H,2,7-10H2,1H3,(H,19,20).
What are the key properties of ethyl 4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylate?
ethyl 4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylate has a molecular weight of 346.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 19515181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).