[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone

C24H27FN4O — CID 3971984

IUPAC[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(-c3ccccc3F)nn2-c2cc(C)ccc2C)CC1
InChIInChI=1S/C24H27FN4O/c1-4-27-11-13-28(14-12-27)24(30)23-16-21(19-7-5-6-8-20(19)25)26-29(23)22-15-17(2)9-10-18(22)3/h5-10,15-16H,4,11-14H2,1-3H3
InChIKeyRVNVAUXQFFYHCY-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.07
Rot. Bonds4

About [1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone

[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 3971984) has the molecular formula C24H27FN4O and a molecular weight of 406.51 g/mol. Its IUPAC name is [1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID3971984
Molecular FormulaC24H27FN4O
Molecular Weight406.51 g/mol
Exact Mass406.22
IUPAC Name[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(-c3ccccc3F)nn2-c2cc(C)ccc2C)CC1
InChIInChI=1S/C24H27FN4O/c1-4-27-11-13-28(14-12-27)24(30)23-16-21(19-7-5-6-8-20(19)25)26-29(23)22-15-17(2)9-10-18(22)3/h5-10,15-16H,4,11-14H2,1-3H3
InChIKeyRVNVAUXQFFYHCY-UHFFFAOYSA-N
XLogP4.07
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carbonyl]piperidine-4-carboxylate
CID 3473710
(4-ethylpiperazin-1-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone
CID 3945293
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]methanone
CID 7283089
1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4046396
1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxylic acid
CID 812149
[3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 42759128
[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42759370
ethyl 4-[1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carbonyl]piperazine-1-carboxylate
CID 3904099
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide
CID 7271774
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(2,5-dimethylphenyl)-3-phenylpyrazol-5-yl]methanone
CID 42754708
1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 42754871
[1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
CID 42758383

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone (CID 3971984) is [1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc(-c3ccccc3F)nn2-c2cc(C)ccc2C)CC1.
What is the InChIKey of [1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is RVNVAUXQFFYHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O/c1-4-27-11-13-28(14-12-27)24(30)23-16-21(19-7-5-6-8-20(19)25)26-29(23)22-15-17(2)9-10-18(22)3/h5-10,15-16H,4,11-14H2,1-3H3.
What are the key properties of [1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 406.51 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 3971984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).