(3-bromophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone

C20H19BrN4O — CID 91914523

IUPAC(3-bromophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1
InChIInChI=1S/C20H19BrN4O/c21-17-8-4-7-16(13-17)20(26)25-11-9-24(10-12-25)19-14-18(22-23-19)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H,22,23)
InChIKeyDTZLSPDAEAWBIO-UHFFFAOYSA-N
MW411.30 g/mol
LogP3.80
Rot. Bonds3

About (3-bromophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone

(3-bromophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (PubChem CID 91914523) has the molecular formula C20H19BrN4O and a molecular weight of 411.30 g/mol. Its IUPAC name is (3-bromophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
PubChem CID91914523
Molecular FormulaC20H19BrN4O
Molecular Weight411.30 g/mol
Exact Mass410.07
IUPAC Name(3-bromophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1
InChIInChI=1S/C20H19BrN4O/c21-17-8-4-7-16(13-17)20(26)25-11-9-24(10-12-25)19-14-18(22-23-19)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H,22,23)
InChIKeyDTZLSPDAEAWBIO-UHFFFAOYSA-N
XLogP3.80
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(3-bromophenyl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
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(3-methoxyphenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)-1,4-diazepan-1-yl]methanone
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(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446
1-[5-(3-bromophenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid
CID 112707623
(4-ethoxyphenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)-1,4-diazepan-1-yl]methanone
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(3-bromophenyl)-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
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3-bromo-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740851
(3-fluoro-4-methoxyphenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)-1,4-diazepan-1-yl]methanone
CID 91904651
(3-bromophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone
CID 90506422
(2-chloro-4-fluorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (CID 91914523) is (3-bromophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is O=C(c1cccc(Br)c1)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1.
What is the InChIKey of (3-bromophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The InChIKey is DTZLSPDAEAWBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O/c21-17-8-4-7-16(13-17)20(26)25-11-9-24(10-12-25)19-14-18(22-23-19)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H,22,23).
What are the key properties of (3-bromophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
(3-bromophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone has a molecular weight of 411.30 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 91914523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).