(3-phenyl-1H-pyrazol-5-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone

C21H23N5O — CID 71702362

IUPAC(3-phenyl-1H-pyrazol-5-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C21H23N5O/c27-21(20-16-19(23-24-20)17-6-2-1-3-7-17)26-14-12-25(13-15-26)11-9-18-8-4-5-10-22-18/h1-8,10,16H,9,11-15H2,(H,23,24)
InChIKeyUJVSGTKFQBLRNS-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.47
Rot. Bonds5

About (3-phenyl-1H-pyrazol-5-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone

(3-phenyl-1H-pyrazol-5-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone (PubChem CID 71702362) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (3-phenyl-1H-pyrazol-5-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-phenyl-1H-pyrazol-5-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
PubChem CID71702362
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(3-phenyl-1H-pyrazol-5-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C21H23N5O/c27-21(20-16-19(23-24-20)17-6-2-1-3-7-17)26-14-12-25(13-15-26)11-9-18-8-4-5-10-22-18/h1-8,10,16H,9,11-15H2,(H,23,24)
InChIKeyUJVSGTKFQBLRNS-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-phenyl-1H-pyrazol-5-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 2090123
(5-phenyl-1,2-oxazol-3-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 35574203
pyridin-2-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087752
(3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403052
[5-(5-bromothiophen-2-yl)-1H-pyrazol-3-yl]-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 71700586
(3-phenyl-1H-pyrazol-5-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone
CID 71798583
(3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024085
(2-bromophenyl)-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 20910987
[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 125003762
[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90571697
(3-phenyl-1H-pyrazol-5-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247037
[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 71802804

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1H-pyrazol-5-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-phenyl-1H-pyrazol-5-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone (CID 71702362) is (3-phenyl-1H-pyrazol-5-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-phenyl-1H-pyrazol-5-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-phenyl-1H-pyrazol-5-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone is O=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(CCc2ccccn2)CC1.
What is the InChIKey of (3-phenyl-1H-pyrazol-5-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone?
The InChIKey is UJVSGTKFQBLRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-21(20-16-19(23-24-20)17-6-2-1-3-7-17)26-14-12-25(13-15-26)11-9-18-8-4-5-10-22-18/h1-8,10,16H,9,11-15H2,(H,23,24).
What are the key properties of (3-phenyl-1H-pyrazol-5-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone?
(3-phenyl-1H-pyrazol-5-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone has a molecular weight of 361.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1H-pyrazol-5-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71702362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).