[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone

C27H25FN4O — CID 142677987

IUPAC[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cnn(-c3ccc(-c4ccccc4)cc3)c2-c2ccccc2F)CC1
InChIInChI=1S/C27H25FN4O/c1-30-15-17-31(18-16-30)27(33)24-19-29-32(26(24)23-9-5-6-10-25(23)28)22-13-11-21(12-14-22)20-7-3-2-4-8-20/h2-14,19H,15-18H2,1H3
InChIKeyWGPQOLTWAKRNEG-UHFFFAOYSA-N
MW440.52 g/mol
LogP4.73
Rot. Bonds4

About [5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone

[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 142677987) has the molecular formula C27H25FN4O and a molecular weight of 440.52 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID142677987
Molecular FormulaC27H25FN4O
Molecular Weight440.52 g/mol
Exact Mass440.20
IUPAC Name[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cnn(-c3ccc(-c4ccccc4)cc3)c2-c2ccccc2F)CC1
InChIInChI=1S/C27H25FN4O/c1-30-15-17-31(18-16-30)27(33)24-19-29-32(26(24)23-9-5-6-10-25(23)28)22-13-11-21(12-14-22)20-7-3-2-4-8-20/h2-14,19H,15-18H2,1H3
InChIKeyWGPQOLTWAKRNEG-UHFFFAOYSA-N
XLogP4.73
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20915103
tert-butyl 2-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl-methylamino]acetate
CID 142678073
5-methyl-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid
CID 131963294
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 90602016
(4-methyl-1,4-diazepan-1-yl)-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 78828139
1-[[1-[4-(5-benzyl-1,3-dioxol-4-yl)phenyl]-5-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-methylpiperazine
CID 69361882
4-ethyl-2-[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]morpholine
CID 91119328
tert-butyl 2-[4-[5-(2-fluorophenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyrazol-1-yl]phenyl]pyrrole-1-carboxylate
CID 69361303
5-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-1-methylpyrazole-4-carboxylic acid
CID 29095767
(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 60712084
4-[2-[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]ethyl]-1,4-oxazepane
CID 142949271
N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide
CID 1350909

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 142677987) is [5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cnn(-c3ccc(-c4ccccc4)cc3)c2-c2ccccc2F)CC1.
What is the InChIKey of [5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is WGPQOLTWAKRNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O/c1-30-15-17-31(18-16-30)27(33)24-19-29-32(26(24)23-9-5-6-10-25(23)28)22-13-11-21(12-14-22)20-7-3-2-4-8-20/h2-14,19H,15-18H2,1H3.
What are the key properties of [5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 440.52 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 142677987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).