1-ethyl-4-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]piperazine

C25H26FN5O — CID 67523503

IUPAC1-ethyl-4-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESCCN1CCN(C(c2ccc(-c3ccc(F)cc3)cn2)c2cn[nH]c2-c2ccco2)CC1
InChIInChI=1S/C25H26FN5O/c1-2-30-11-13-31(14-12-30)25(21-17-28-29-24(21)23-4-3-15-32-23)22-10-7-19(16-27-22)18-5-8-20(26)9-6-18/h3-10,15-17,25H,2,11-14H2,1H3,(H,28,29)
InChIKeyVRLPEZFABBPTOG-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.60
Rot. Bonds6

About 1-ethyl-4-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]piperazine

1-ethyl-4-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]piperazine (PubChem CID 67523503) has the molecular formula C25H26FN5O and a molecular weight of 431.52 g/mol. Its IUPAC name is 1-ethyl-4-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]piperazine
PubChem CID67523503
Molecular FormulaC25H26FN5O
Molecular Weight431.52 g/mol
Exact Mass431.21
IUPAC Name1-ethyl-4-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESCCN1CCN(C(c2ccc(-c3ccc(F)cc3)cn2)c2cn[nH]c2-c2ccco2)CC1
InChIInChI=1S/C25H26FN5O/c1-2-30-11-13-31(14-12-30)25(21-17-28-29-24(21)23-4-3-15-32-23)22-10-7-19(16-27-22)18-5-8-20(26)9-6-18/h3-10,15-17,25H,2,11-14H2,1H3,(H,28,29)
InChIKeyVRLPEZFABBPTOG-UHFFFAOYSA-N
XLogP4.60
TPSA61.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 1-ethyl-4-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]piperazine (CID 67523503) is 1-ethyl-4-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]piperazine is CCN1CCN(C(c2ccc(-c3ccc(F)cc3)cn2)c2cn[nH]c2-c2ccco2)CC1.
What is the InChIKey of 1-ethyl-4-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]piperazine?
The InChIKey is VRLPEZFABBPTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O/c1-2-30-11-13-31(14-12-30)25(21-17-28-29-24(21)23-4-3-15-32-23)22-10-7-19(16-27-22)18-5-8-20(26)9-6-18/h3-10,15-17,25H,2,11-14H2,1H3,(H,28,29).
What are the key properties of 1-ethyl-4-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]piperazine?
1-ethyl-4-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]piperazine has a molecular weight of 431.52 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 67523503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).