3-phenyl-1-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one

C21H23N5O — CID 53180973

IUPAC3-phenyl-1-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(c2cc(-c3cccnc3)[nH]n2)CC1
InChIInChI=1S/C21H23N5O/c27-21(9-8-17-5-2-1-3-6-17)26-13-11-25(12-14-26)20-15-19(23-24-20)18-7-4-10-22-16-18/h1-7,10,15-16H,8-9,11-14H2,(H,23,24)
InChIKeyRYIBBIJZWHRXNX-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.75
Rot. Bonds5

About 3-phenyl-1-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one

3-phenyl-1-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one (PubChem CID 53180973) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-phenyl-1-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one
PubChem CID53180973
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name3-phenyl-1-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(c2cc(-c3cccnc3)[nH]n2)CC1
InChIInChI=1S/C21H23N5O/c27-21(9-8-17-5-2-1-3-6-17)26-13-11-25(12-14-26)20-15-19(23-24-20)18-7-4-10-22-16-18/h1-7,10,15-16H,8-9,11-14H2,(H,23,24)
InChIKeyRYIBBIJZWHRXNX-UHFFFAOYSA-N
XLogP2.75
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one
CID 75527247
1-[4-[5-(3,4-dimethylphenyl)-1H-pyrazol-3-yl]-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 91914495
1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110853162
3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060327
2-(2-methylphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone
CID 75527246
2-(4-methoxyphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone
CID 75527219
1-(4-phenylpiperazin-1-yl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-one
CID 110648647
2-(4-ethoxyphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone
CID 75527263
[4-(3-phenylpropyl)piperazin-1-yl]-(5-pyridin-3-yl-1H-pyrrol-2-yl)methanone
CID 10499664
1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 30086719
1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110645862
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 56699712

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one (CID 53180973) is 3-phenyl-1-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one is O=C(CCc1ccccc1)N1CCN(c2cc(-c3cccnc3)[nH]n2)CC1.
What is the InChIKey of 3-phenyl-1-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one?
The InChIKey is RYIBBIJZWHRXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-21(9-8-17-5-2-1-3-6-17)26-13-11-25(12-14-26)20-15-19(23-24-20)18-7-4-10-22-16-18/h1-7,10,15-16H,8-9,11-14H2,(H,23,24).
What are the key properties of 3-phenyl-1-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one?
3-phenyl-1-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one has a molecular weight of 361.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 53180973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).