[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C21H20F2N4O — CID 110299520

IUPAC[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCn1nc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C21H20F2N4O/c1-25-20(15-2-4-16(22)5-3-15)14-19(24-25)21(28)27-12-10-26(11-13-27)18-8-6-17(23)7-9-18/h2-9,14H,10-13H2,1H3
InChIKeyXNENAIJIHXREFT-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.33
Rot. Bonds3

About [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 110299520) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID110299520
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCn1nc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C21H20F2N4O/c1-25-20(15-2-4-16(22)5-3-15)14-19(24-25)21(28)27-12-10-26(11-13-27)18-8-6-17(23)7-9-18/h2-9,14H,10-13H2,1H3
InChIKeyXNENAIJIHXREFT-UHFFFAOYSA-N
XLogP3.33
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110299420
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146046332
1-methyl-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylic acid
CID 83853464
1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carboxylic acid
CID 112710654
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 110421450
(4-methylpiperazin-1-yl)-[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone
CID 110336479
1-[4-[5-(4-methoxyphenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]ethanone
CID 110336273
ethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 110299419
7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone
CID 110616137
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147286
4-[5-(4-chlorophenyl)-1-methylpyrazole-3-carbonyl]piperazine-1-carbaldehyde
CID 110336238
[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 110336268

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 110299520) is [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is Cn1nc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1-c1ccc(F)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is XNENAIJIHXREFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c1-25-20(15-2-4-16(22)5-3-15)14-19(24-25)21(28)27-12-10-26(11-13-27)18-8-6-17(23)7-9-18/h2-9,14H,10-13H2,1H3.
What are the key properties of [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 382.41 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110299520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).