[2-(difluoromethoxy)phenyl]-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone

C23H22F2N4O3 — CID 55762009

IUPAC[2-(difluoromethoxy)phenyl]-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)nn1-c1ccccc1
InChIInChI=1S/C23H22F2N4O3/c1-16-15-19(26-29(16)17-7-3-2-4-8-17)22(31)28-13-11-27(12-14-28)21(30)18-9-5-6-10-20(18)32-23(24)25/h2-10,15,23H,11-14H2,1H3
InChIKeyGFUKTDPQCQYVNE-UHFFFAOYSA-N
MW440.45 g/mol
LogP3.38
Rot. Bonds5

About [2-(difluoromethoxy)phenyl]-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone

[2-(difluoromethoxy)phenyl]-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 55762009) has the molecular formula C23H22F2N4O3 and a molecular weight of 440.45 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone
PubChem CID55762009
Molecular FormulaC23H22F2N4O3
Molecular Weight440.45 g/mol
Exact Mass440.17
IUPAC Name[2-(difluoromethoxy)phenyl]-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)nn1-c1ccccc1
InChIInChI=1S/C23H22F2N4O3/c1-16-15-19(26-29(16)17-7-3-2-4-8-17)22(31)28-13-11-27(12-14-28)21(30)18-9-5-6-10-20(18)32-23(24)25/h2-10,15,23H,11-14H2,1H3
InChIKeyGFUKTDPQCQYVNE-UHFFFAOYSA-N
XLogP3.38
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-5-methylpyrazole-3-carboxylic acid
CID 105421474
1-[4-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]phenyl]ethanone
CID 26239975
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 55548173
[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride
CID 119518631
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 46434761
[2-(difluoromethoxy)phenyl]-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 112845110
4-[[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzamide
CID 112842395
(2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone
CID 55548039
[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43391804
1-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55759044
[2-(difluoromethoxy)phenyl]-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2540987

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(difluoromethoxy)phenyl]-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone (CID 55762009) is [2-(difluoromethoxy)phenyl]-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)nn1-c1ccccc1.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is GFUKTDPQCQYVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O3/c1-16-15-19(26-29(16)17-7-3-2-4-8-17)22(31)28-13-11-27(12-14-28)21(30)18-9-5-6-10-20(18)32-23(24)25/h2-10,15,23H,11-14H2,1H3.
What are the key properties of [2-(difluoromethoxy)phenyl]-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone?
[2-(difluoromethoxy)phenyl]-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 440.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55762009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).