(4-benzhydrylpiperazin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone

C27H25FN4O — CID 20953289

IUPAC(4-benzhydrylpiperazin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H25FN4O/c28-23-13-11-20(12-14-23)24-19-25(30-29-24)27(33)32-17-15-31(16-18-32)26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,19,26H,15-18H2,(H,29,30)
InChIKeyFVRHPUJEYXRXNY-UHFFFAOYSA-N
MW440.52 g/mol
LogP4.76
Rot. Bonds5

About (4-benzhydrylpiperazin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone

(4-benzhydrylpiperazin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 20953289) has the molecular formula C27H25FN4O and a molecular weight of 440.52 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
PubChem CID20953289
Molecular FormulaC27H25FN4O
Molecular Weight440.52 g/mol
Exact Mass440.20
IUPAC Name(4-benzhydrylpiperazin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H25FN4O/c28-23-13-11-20(12-14-23)24-19-25(30-29-24)27(33)32-17-15-31(16-18-32)26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,19,26H,15-18H2,(H,29,30)
InChIKeyFVRHPUJEYXRXNY-UHFFFAOYSA-N
XLogP4.76
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-[5-(4-fluorophenyl)-2H-triazol-4-yl]methanone
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[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 9378917
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515188
2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 121051527
(4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone
CID 9337064
[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 92767617
(2-fluorophenyl)-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100028
[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515184
2-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-2-(4-methoxyphenyl)acetonitrile
CID 78862190
(3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403052
(4-benzhydrylpiperazin-1-yl)-[1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)pyrazol-5-yl]methanone
CID 42758480
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone (CID 20953289) is (4-benzhydrylpiperazin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone is O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is FVRHPUJEYXRXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O/c28-23-13-11-20(12-14-23)24-19-25(30-29-24)27(33)32-17-15-31(16-18-32)26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,19,26H,15-18H2,(H,29,30).
What are the key properties of (4-benzhydrylpiperazin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
(4-benzhydrylpiperazin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 440.52 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 20953289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).