[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone

C21H23FN2O3 — CID 71184919

IUPAC[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone
SMILESCOc1ccc(C2=NN(C(=O)c3ccc(C)c(F)c3)CC2(C)C)cc1OC
InChIInChI=1S/C21H23FN2O3/c1-13-6-7-15(10-16(13)22)20(25)24-12-21(2,3)19(23-24)14-8-9-17(26-4)18(11-14)27-5/h6-11H,12H2,1-5H3
InChIKeyYFWVLBJBHQHROL-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.04
Rot. Bonds4

About [5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone

[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone (PubChem CID 71184919) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is [5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone
PubChem CID71184919
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone
SMILESCOc1ccc(C2=NN(C(=O)c3ccc(C)c(F)c3)CC2(C)C)cc1OC
InChIInChI=1S/C21H23FN2O3/c1-13-6-7-15(10-16(13)22)20(25)24-12-21(2,3)19(23-24)14-8-9-17(26-4)18(11-14)27-5/h6-11H,12H2,1-5H3
InChIKeyYFWVLBJBHQHROL-UHFFFAOYSA-N
XLogP4.04
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 71186773
(4-chloro-3-fluorophenyl)-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 71185011
(4-chlorophenyl)-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]methanone
CID 71203505
ethyl 1-(3-fluoro-4-methoxybenzoyl)-2-methylpyrrolidine-2-carboxylate
CID 46943819
1-(3-fluoro-4-methoxybenzoyl)-2,2-dimethylpyrrolidin-3-one
CID 115275113
(3-amino-2,2-dimethylpyrrolidin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 115275231
[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 66866495
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
(2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337370
6-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-2,3-dihydroinden-1-one
CID 157287272
(3-aminophenyl)-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]methanone
CID 89369072
(4S)-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 93492767

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of [5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone (CID 71184919) is [5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for [5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for [5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone is COc1ccc(C2=NN(C(=O)c3ccc(C)c(F)c3)CC2(C)C)cc1OC.
What is the InChIKey of [5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is YFWVLBJBHQHROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-13-6-7-15(10-16(13)22)20(25)24-12-21(2,3)19(23-24)14-8-9-17(26-4)18(11-14)27-5/h6-11H,12H2,1-5H3.
What are the key properties of [5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone?
[5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone has a molecular weight of 370.42 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3H-pyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 71184919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).