(4-methyl-2-phenylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone

C21H22N4O — CID 72920798

IUPAC(4-methyl-2-phenylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
SMILESCN1CCN(C(=O)c2cn[nH]c2-c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C21H22N4O/c1-24-12-13-25(19(15-24)16-8-4-2-5-9-16)21(26)18-14-22-23-20(18)17-10-6-3-7-11-17/h2-11,14,19H,12-13,15H2,1H3,(H,22,23)
InChIKeyUNBRLQWBUFADJK-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.21
Rot. Bonds3

About (4-methyl-2-phenylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone

(4-methyl-2-phenylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone (PubChem CID 72920798) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is (4-methyl-2-phenylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methyl-2-phenylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
PubChem CID72920798
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name(4-methyl-2-phenylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
SMILESCN1CCN(C(=O)c2cn[nH]c2-c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C21H22N4O/c1-24-12-13-25(19(15-24)16-8-4-2-5-9-16)21(26)18-14-22-23-20(18)17-10-6-3-7-11-17/h2-11,14,19H,12-13,15H2,1H3,(H,22,23)
InChIKeyUNBRLQWBUFADJK-UHFFFAOYSA-N
XLogP3.21
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 60712084
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(2,6-dichloro-3-pyridinyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 167526074
6-methyl-3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-1H-pyridin-2-one
CID 95976202
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
(2R)-1-(5-phenyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921302
(4-methyl-2-phenylpiperazin-1-yl)-pyrazin-2-ylmethanone
CID 51251944
(2S)-1-(5-phenyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61136462
4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-2H-phthalazin-1-one
CID 37332382
(4-methyl-2-phenylpiperazin-1-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 72863235
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 79030002

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-phenylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of (4-methyl-2-phenylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone (CID 72920798) is (4-methyl-2-phenylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (4-methyl-2-phenylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for (4-methyl-2-phenylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone is CN1CCN(C(=O)c2cn[nH]c2-c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of (4-methyl-2-phenylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone?
The InChIKey is UNBRLQWBUFADJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-24-12-13-25(19(15-24)16-8-4-2-5-9-16)21(26)18-14-22-23-20(18)17-10-6-3-7-11-17/h2-11,14,19H,12-13,15H2,1H3,(H,22,23).
What are the key properties of (4-methyl-2-phenylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone?
(4-methyl-2-phenylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone has a molecular weight of 346.43 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-phenylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 72920798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).