3-(1-phenylpyrazol-4-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

C26H26N6O — CID 56537547

IUPAC3-(1-phenylpyrazol-4-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1cnn(-c2ccccc2)c1)N1CCN(c2ccnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C26H26N6O/c33-25(12-11-21-19-28-32(20-21)23-9-5-2-6-10-23)31-17-15-30(16-18-31)24-13-14-27-26(29-24)22-7-3-1-4-8-22/h1-10,13-14,19-20H,11-12,15-18H2
InChIKeyAMFBGALVKRJYFX-UHFFFAOYSA-N
MW438.54 g/mol
LogP3.61
Rot. Bonds6

About 3-(1-phenylpyrazol-4-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

3-(1-phenylpyrazol-4-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 56537547) has the molecular formula C26H26N6O and a molecular weight of 438.54 g/mol. Its IUPAC name is 3-(1-phenylpyrazol-4-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1-phenylpyrazol-4-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
PubChem CID56537547
Molecular FormulaC26H26N6O
Molecular Weight438.54 g/mol
Exact Mass438.22
IUPAC Name3-(1-phenylpyrazol-4-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1cnn(-c2ccccc2)c1)N1CCN(c2ccnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C26H26N6O/c33-25(12-11-21-19-28-32(20-21)23-9-5-2-6-10-23)31-17-15-30(16-18-31)24-13-14-27-26(29-24)22-7-3-1-4-8-22/h1-10,13-14,19-20H,11-12,15-18H2
InChIKeyAMFBGALVKRJYFX-UHFFFAOYSA-N
XLogP3.61
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-phenylpyrazol-4-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 75524878
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
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4-phenoxy-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
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1-(4-cyclopentylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 134020721
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27236576
3-(1H-indol-3-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 56537546
1-(4-anilinopiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 87011006
tert-butyl 4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazine-1-carboxylate
CID 31517544
1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-2-propan-2-yloxyethanone
CID 75463330
2-(2-chlorophenyl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56528341
2-(2-nitrophenyl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56537459
N-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylpyrazol-4-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(1-phenylpyrazol-4-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one (CID 56537547) is 3-(1-phenylpyrazol-4-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1-phenylpyrazol-4-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(1-phenylpyrazol-4-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one is O=C(CCc1cnn(-c2ccccc2)c1)N1CCN(c2ccnc(-c3ccccc3)n2)CC1.
What is the InChIKey of 3-(1-phenylpyrazol-4-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is AMFBGALVKRJYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O/c33-25(12-11-21-19-28-32(20-21)23-9-5-2-6-10-23)31-17-15-30(16-18-31)24-13-14-27-26(29-24)22-7-3-1-4-8-22/h1-10,13-14,19-20H,11-12,15-18H2.
What are the key properties of 3-(1-phenylpyrazol-4-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
3-(1-phenylpyrazol-4-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 438.54 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylpyrazol-4-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 56537547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).