1-(2,4-dichlorophenyl)-5-(3,5-difluoro-4-phenylmethoxyphenyl)-4-methylpyrazole

C23H16Cl2F2N2O — CID 141120916

IUPAC1-(2,4-dichlorophenyl)-5-(3,5-difluoro-4-phenylmethoxyphenyl)-4-methylpyrazole
SMILESCc1cnn(-c2ccc(Cl)cc2Cl)c1-c1cc(F)c(OCc2ccccc2)c(F)c1
InChIInChI=1S/C23H16Cl2F2N2O/c1-14-12-28-29(21-8-7-17(24)11-18(21)25)22(14)16-9-19(26)23(20(27)10-16)30-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKeyYLXAOGZEOGHNFY-UHFFFAOYSA-N
MW445.30 g/mol
LogP7.01
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-5-(3,5-difluoro-4-phenylmethoxyphenyl)-4-methylpyrazole

1-(2,4-dichlorophenyl)-5-(3,5-difluoro-4-phenylmethoxyphenyl)-4-methylpyrazole (PubChem CID 141120916) has the molecular formula C23H16Cl2F2N2O and a molecular weight of 445.30 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-5-(3,5-difluoro-4-phenylmethoxyphenyl)-4-methylpyrazole.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-5-(3,5-difluoro-4-phenylmethoxyphenyl)-4-methylpyrazole
PubChem CID141120916
Molecular FormulaC23H16Cl2F2N2O
Molecular Weight445.30 g/mol
Exact Mass444.06
IUPAC Name1-(2,4-dichlorophenyl)-5-(3,5-difluoro-4-phenylmethoxyphenyl)-4-methylpyrazole
SMILESCc1cnn(-c2ccc(Cl)cc2Cl)c1-c1cc(F)c(OCc2ccccc2)c(F)c1
InChIInChI=1S/C23H16Cl2F2N2O/c1-14-12-28-29(21-8-7-17(24)11-18(21)25)22(14)16-9-19(26)23(20(27)10-16)30-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKeyYLXAOGZEOGHNFY-UHFFFAOYSA-N
XLogP7.01
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.30
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine
CID 117496230
1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene
CID 164895451
5-[4-[1-(2,4-dichlorophenyl)-4-methylpyrazol-5-yl]phenyl]-1-methyltetrazole
CID 71083606
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole;N-(pyridin-3-ylmethyl)formamide
CID 143503604
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919
5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79887883
1-(2,4-dichlorophenyl)-4-phenyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylic acid
CID 68802770
1-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 117448854
3-chloro-5-fluoro-4-phenylmethoxybenzonitrile
CID 117408938
3-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)propan-1-amine
CID 117474017
methyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate
CID 164895372
5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79888121

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-5-(3,5-difluoro-4-phenylmethoxyphenyl)-4-methylpyrazole?
The IUPAC name of 1-(2,4-dichlorophenyl)-5-(3,5-difluoro-4-phenylmethoxyphenyl)-4-methylpyrazole (CID 141120916) is 1-(2,4-dichlorophenyl)-5-(3,5-difluoro-4-phenylmethoxyphenyl)-4-methylpyrazole.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-5-(3,5-difluoro-4-phenylmethoxyphenyl)-4-methylpyrazole?
The canonical SMILES for 1-(2,4-dichlorophenyl)-5-(3,5-difluoro-4-phenylmethoxyphenyl)-4-methylpyrazole is Cc1cnn(-c2ccc(Cl)cc2Cl)c1-c1cc(F)c(OCc2ccccc2)c(F)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-5-(3,5-difluoro-4-phenylmethoxyphenyl)-4-methylpyrazole?
The InChIKey is YLXAOGZEOGHNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2F2N2O/c1-14-12-28-29(21-8-7-17(24)11-18(21)25)22(14)16-9-19(26)23(20(27)10-16)30-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-5-(3,5-difluoro-4-phenylmethoxyphenyl)-4-methylpyrazole?
1-(2,4-dichlorophenyl)-5-(3,5-difluoro-4-phenylmethoxyphenyl)-4-methylpyrazole has a molecular weight of 445.30 g/mol, XLogP of 7.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-5-(3,5-difluoro-4-phenylmethoxyphenyl)-4-methylpyrazole is sourced from PubChem (CID 141120916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).