ethyl 4-[1-(4-fluorophenyl)-4-propoxypyrazole-3-carbonyl]piperazine-1-carboxylate

C20H25FN4O4 — CID 42109755

IUPACethyl 4-[1-(4-fluorophenyl)-4-propoxypyrazole-3-carbonyl]piperazine-1-carboxylate
SMILESCCCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCN(C(=O)OCC)CC1
InChIInChI=1S/C20H25FN4O4/c1-3-13-29-17-14-25(16-7-5-15(21)6-8-16)22-18(17)19(26)23-9-11-24(12-10-23)20(27)28-4-2/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyANULIQIRJHADEE-UHFFFAOYSA-N
MW404.44 g/mol
LogP2.71
Rot. Bonds6

About ethyl 4-[1-(4-fluorophenyl)-4-propoxypyrazole-3-carbonyl]piperazine-1-carboxylate

ethyl 4-[1-(4-fluorophenyl)-4-propoxypyrazole-3-carbonyl]piperazine-1-carboxylate (PubChem CID 42109755) has the molecular formula C20H25FN4O4 and a molecular weight of 404.44 g/mol. Its IUPAC name is ethyl 4-[1-(4-fluorophenyl)-4-propoxypyrazole-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(4-fluorophenyl)-4-propoxypyrazole-3-carbonyl]piperazine-1-carboxylate
PubChem CID42109755
Molecular FormulaC20H25FN4O4
Molecular Weight404.44 g/mol
Exact Mass404.19
IUPAC Nameethyl 4-[1-(4-fluorophenyl)-4-propoxypyrazole-3-carbonyl]piperazine-1-carboxylate
SMILESCCCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCN(C(=O)OCC)CC1
InChIInChI=1S/C20H25FN4O4/c1-3-13-29-17-14-25(16-7-5-15(21)6-8-16)22-18(17)19(26)23-9-11-24(12-10-23)20(27)28-4-2/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyANULIQIRJHADEE-UHFFFAOYSA-N
XLogP2.71
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N,1-diphenylpyrazole-3-carboxamide
CID 7992430
N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992482
1-[1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carbonyl]-4-(2-methoxyphenyl)piperazine
CID 25284334
(4-ethoxy-1-(4-fluorophenyl)-1H-pyrazol-3-yl)(2-methylindolin-1-yl)methanone
CID 44062379
4-ethoxy-1-(4-fluorophenyl)-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide
CID 45283985
N-(4-fluoro-2-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 8378271
4-methoxy-N-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide
CID 18106024
1-(2-fluorophenyl)-4-[1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carbonyl]piperazine
CID 25284333
N-(2,6-difluorobenzyl)-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 42109692
(3,4-dihydroisoquinolin-2(1H)-yl)(4-ethoxy-1-(4-fluorophenyl)-1H-pyrazol-3-yl)methanone
CID 42109710
4-ethoxy-N-(2-ethylphenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 42109724
4-ethoxy-1-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxamide
CID 42109750

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(4-fluorophenyl)-4-propoxypyrazole-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(4-fluorophenyl)-4-propoxypyrazole-3-carbonyl]piperazine-1-carboxylate (CID 42109755) is ethyl 4-[1-(4-fluorophenyl)-4-propoxypyrazole-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(4-fluorophenyl)-4-propoxypyrazole-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(4-fluorophenyl)-4-propoxypyrazole-3-carbonyl]piperazine-1-carboxylate is CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCN(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-[1-(4-fluorophenyl)-4-propoxypyrazole-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is ANULIQIRJHADEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O4/c1-3-13-29-17-14-25(16-7-5-15(21)6-8-16)22-18(17)19(26)23-9-11-24(12-10-23)20(27)28-4-2/h5-8,14H,3-4,9-13H2,1-2H3.
What are the key properties of ethyl 4-[1-(4-fluorophenyl)-4-propoxypyrazole-3-carbonyl]piperazine-1-carboxylate?
ethyl 4-[1-(4-fluorophenyl)-4-propoxypyrazole-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 404.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(4-fluorophenyl)-4-propoxypyrazole-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 42109755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).