(3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C18H18N6O — CID 42024085

IUPAC(3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H18N6O/c25-18(16-12-15(21-22-16)14-4-2-1-3-5-14)24-10-8-23(9-11-24)17-13-19-6-7-20-17/h1-7,12-13H,8-11H2,(H,21,22)
InChIKeyXOVPLUHLHWTHRF-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.83
Rot. Bonds3

About (3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

(3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 42024085) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is (3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID42024085
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name(3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H18N6O/c25-18(16-12-15(21-22-16)14-4-2-1-3-5-14)24-10-8-23(9-11-24)17-13-19-6-7-20-17/h1-7,12-13H,8-11H2,(H,21,22)
InChIKeyXOVPLUHLHWTHRF-UHFFFAOYSA-N
XLogP1.83
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 29029295
(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058422
(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058315
[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 71802804
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 20953309
(3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403052
pyridin-2-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087752
3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one
CID 33112769
(2-bromophenyl)-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 20910987
(3-phenyl-1H-pyrazol-5-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 71702362
[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90491305
[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516795

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 42024085) is (3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is O=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of (3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is XOVPLUHLHWTHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c25-18(16-12-15(21-22-16)14-4-2-1-3-5-14)24-10-8-23(9-11-24)17-13-19-6-7-20-17/h1-7,12-13H,8-11H2,(H,21,22).
What are the key properties of (3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
(3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 334.38 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 42024085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).