5-chloro-4-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole

C12H10ClF3N2O — CID 117232554

IUPAC5-chloro-4-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
SMILESCOc1cnn(Cc2cccc(C(F)(F)F)c2)c1Cl
InChIInChI=1S/C12H10ClF3N2O/c1-19-10-6-17-18(11(10)13)7-8-3-2-4-9(5-8)12(14,15)16/h2-6H,7H2,1H3
InChIKeyONGARNYDMJYQFB-UHFFFAOYSA-N
MW290.67 g/mol
LogP3.61
Rot. Bonds3

About 5-chloro-4-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole

5-chloro-4-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole (PubChem CID 117232554) has the molecular formula C12H10ClF3N2O and a molecular weight of 290.67 g/mol. Its IUPAC name is 5-chloro-4-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole.

Molecular Properties

Compound Name5-chloro-4-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
PubChem CID117232554
Molecular FormulaC12H10ClF3N2O
Molecular Weight290.67 g/mol
Exact Mass290.04
IUPAC Name5-chloro-4-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
SMILESCOc1cnn(Cc2cccc(C(F)(F)F)c2)c1Cl
InChIInChI=1S/C12H10ClF3N2O/c1-19-10-6-17-18(11(10)13)7-8-3-2-4-9(5-8)12(14,15)16/h2-6H,7H2,1H3
InChIKeyONGARNYDMJYQFB-UHFFFAOYSA-N
XLogP3.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.67
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-bis(2,4-dimethoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 19586264
4-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxylic acid
CID 117232726
3,5-bis(3-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 19586548
6-chloro-5-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233123
1-(4-chloro-1-ethylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 114644158
3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 114692714
1-benzyl-5,6-dimethoxyindazole
CID 83414174
2-benzyl-4-chloro-5-methoxypyridazin-3-one
CID 737015
2-benzyl-4-[(2-benzyl-5-methoxy-3-oxopyridazin-4-yl)-hydroxy-phenylmethyl]-5-methoxypyridazin-3-one
CID 44605368
N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]methanamine
CID 55109247
4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107620989
4-iodo-3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 79785518

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
The IUPAC name of 5-chloro-4-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole (CID 117232554) is 5-chloro-4-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole.
What is the SMILES notation for 5-chloro-4-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
The canonical SMILES for 5-chloro-4-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole is COc1cnn(Cc2cccc(C(F)(F)F)c2)c1Cl.
What is the InChIKey of 5-chloro-4-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
The InChIKey is ONGARNYDMJYQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O/c1-19-10-6-17-18(11(10)13)7-8-3-2-4-9(5-8)12(14,15)16/h2-6H,7H2,1H3.
What are the key properties of 5-chloro-4-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
5-chloro-4-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole has a molecular weight of 290.67 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole is sourced from PubChem (CID 117232554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).