1-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole

C18H16Cl2N2O — CID 141319425

IUPAC1-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole
SMILESCc1ccnn1Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C18H16Cl2N2O/c1-13-8-9-21-22(13)11-15-10-17(20)6-7-18(15)23-12-14-2-4-16(19)5-3-14/h2-10H,11-12H2,1H3
InChIKeyOWNGTWUPZKBTAV-UHFFFAOYSA-N
MW347.25 g/mol
LogP5.13
Rot. Bonds5

About 1-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole

1-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole (PubChem CID 141319425) has the molecular formula C18H16Cl2N2O and a molecular weight of 347.25 g/mol. Its IUPAC name is 1-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole.

Molecular Properties

Compound Name1-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole
PubChem CID141319425
Molecular FormulaC18H16Cl2N2O
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name1-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole
SMILESCc1ccnn1Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C18H16Cl2N2O/c1-13-8-9-21-22(13)11-15-10-17(20)6-7-18(15)23-12-14-2-4-16(19)5-3-14/h2-10H,11-12H2,1H3
InChIKeyOWNGTWUPZKBTAV-UHFFFAOYSA-N
XLogP5.13
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.25
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[5-chloro-2-[[1-(trifluoromethyl)cyclobutyl]methoxy]phenyl]methyl]-5-methylpyrazole
CID 141409304
1-[[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 86688727
1-[[2-[(4-chlorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 11257347
ethyl 1-[[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylate
CID 86688726
4-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 43141959
1-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-(ethoxymethyl)-5-methylpyrazole
CID 143038980
N-[1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazol-3-yl]-2-pyridin-2-ylacetamide
CID 11963181
4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19337198
N-[[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]methoxy]benzamide
CID 140539404
[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-propan-2-ylcarbamic acid
CID 68909012
N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylbutanamide
CID 11963140
tert-butyl-[[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]methyl]carbamic acid
CID 68910317

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole?
The IUPAC name of 1-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole (CID 141319425) is 1-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole.
What is the SMILES notation for 1-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole?
The canonical SMILES for 1-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole is Cc1ccnn1Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 1-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole?
The InChIKey is OWNGTWUPZKBTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O/c1-13-8-9-21-22(13)11-15-10-17(20)6-7-18(15)23-12-14-2-4-16(19)5-3-14/h2-10H,11-12H2,1H3.
What are the key properties of 1-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole?
1-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole has a molecular weight of 347.25 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole is sourced from PubChem (CID 141319425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).