[4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-phenylmethanone

C21H20F2N4O — CID 75430647

IUPAC[4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(Cc2cn[nH]c2-c2c(F)cccc2F)CC1
InChIInChI=1S/C21H20F2N4O/c22-17-7-4-8-18(23)19(17)20-16(13-24-25-20)14-26-9-11-27(12-10-26)21(28)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H,24,25)
InChIKeyOGGPCEJSDHYINY-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.31
Rot. Bonds4

About [4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-phenylmethanone

[4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-phenylmethanone (PubChem CID 75430647) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is [4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-phenylmethanone
PubChem CID75430647
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name[4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(Cc2cn[nH]c2-c2c(F)cccc2F)CC1
InChIInChI=1S/C21H20F2N4O/c22-17-7-4-8-18(23)19(17)20-16(13-24-25-20)14-26-9-11-27(12-10-26)21(28)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H,24,25)
InChIKeyOGGPCEJSDHYINY-UHFFFAOYSA-N
XLogP3.31
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-phenylmethanone with MolForge

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Related Compounds

[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366470
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone;oxalic acid
CID 146048643
(3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 27756291
N-[[(3S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide
CID 97237498
(4-chloro-1H-pyrazol-5-yl)-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 19514719
[2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9467029
[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 18135238
2-[4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]acetic acid
CID 135113599
3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 110363057
3-[4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid
CID 19471293
[4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 138809243

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-phenylmethanone (CID 75430647) is [4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(Cc2cn[nH]c2-c2c(F)cccc2F)CC1.
What is the InChIKey of [4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is OGGPCEJSDHYINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c22-17-7-4-8-18(23)19(17)20-16(13-24-25-20)14-26-9-11-27(12-10-26)21(28)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H,24,25).
What are the key properties of [4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-phenylmethanone?
[4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 382.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 75430647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).