[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-ethylphenyl)piperazin-1-yl]methanone

C22H23ClN4O — CID 54584911

IUPAC[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-ethylphenyl)piperazin-1-yl]methanone
SMILESCCc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1
InChIInChI=1S/C22H23ClN4O/c1-2-16-5-3-4-6-21(16)26-11-13-27(14-12-26)22(28)20-15-19(24-25-20)17-7-9-18(23)10-8-17/h3-10,15H,2,11-14H2,1H3,(H,24,25)
InChIKeyPQILOOSGRZHNBG-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.25
Rot. Bonds4

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

[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-ethylphenyl)piperazin-1-yl]methanone (PubChem CID 54584911) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-ethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-ethylphenyl)piperazin-1-yl]methanone
PubChem CID54584911
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-ethylphenyl)piperazin-1-yl]methanone
SMILESCCc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1
InChIInChI=1S/C22H23ClN4O/c1-2-16-5-3-4-6-21(16)26-11-13-27(14-12-26)22(28)20-15-19(24-25-20)17-7-9-18(23)10-8-17/h3-10,15H,2,11-14H2,1H3,(H,24,25)
InChIKeyPQILOOSGRZHNBG-UHFFFAOYSA-N
XLogP4.25
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-ethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-ethylphenyl)piperazin-1-yl]methanone (CID 54584911) is [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-ethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-ethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-ethylphenyl)piperazin-1-yl]methanone is CCc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1.
What is the InChIKey of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-ethylphenyl)piperazin-1-yl]methanone?
The InChIKey is PQILOOSGRZHNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-2-16-5-3-4-6-21(16)26-11-13-27(14-12-26)22(28)20-15-19(24-25-20)17-7-9-18(23)10-8-17/h3-10,15H,2,11-14H2,1H3,(H,24,25).
What are the key properties of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-ethylphenyl)piperazin-1-yl]methanone?
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-ethylphenyl)piperazin-1-yl]methanone has a molecular weight of 394.91 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-ethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 54584911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).