(2-ethoxyphenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone

C22H23FN4O2 — CID 75527343

IUPAC(2-ethoxyphenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1
InChIInChI=1S/C22H23FN4O2/c1-2-29-20-6-4-3-5-18(20)22(28)27-13-11-26(12-14-27)21-15-19(24-25-21)16-7-9-17(23)10-8-16/h3-10,15H,2,11-14H2,1H3,(H,24,25)
InChIKeyOJWDIQYLVWIOPY-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.58
Rot. Bonds5

About (2-ethoxyphenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone

(2-ethoxyphenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone (PubChem CID 75527343) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone
PubChem CID75527343
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name(2-ethoxyphenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1
InChIInChI=1S/C22H23FN4O2/c1-2-29-20-6-4-3-5-18(20)22(28)27-13-11-26(12-14-27)21-15-19(24-25-21)16-7-9-17(23)10-8-16/h3-10,15H,2,11-14H2,1H3,(H,24,25)
InChIKeyOJWDIQYLVWIOPY-UHFFFAOYSA-N
XLogP3.58
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone (CID 75527343) is (2-ethoxyphenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone is CCOc1ccccc1C(=O)N1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1.
What is the InChIKey of (2-ethoxyphenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone?
The InChIKey is OJWDIQYLVWIOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-2-29-20-6-4-3-5-18(20)22(28)27-13-11-26(12-14-27)21-15-19(24-25-21)16-7-9-17(23)10-8-16/h3-10,15H,2,11-14H2,1H3,(H,24,25).
What are the key properties of (2-ethoxyphenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone?
(2-ethoxyphenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone has a molecular weight of 394.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 75527343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).