4-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole

C11H9F3N2O — CID 121222980

IUPAC4-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCOc1cccc(-c2cn[nH]c2C(F)(F)F)c1
InChIInChI=1S/C11H9F3N2O/c1-17-8-4-2-3-7(5-8)9-6-15-16-10(9)11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyPPAAOPNXSJYEFA-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.10
Rot. Bonds2

About 4-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole

4-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 121222980) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID121222980
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name4-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCOc1cccc(-c2cn[nH]c2C(F)(F)F)c1
InChIInChI=1S/C11H9F3N2O/c1-17-8-4-2-3-7(5-8)9-6-15-16-10(9)11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyPPAAOPNXSJYEFA-UHFFFAOYSA-N
XLogP3.10
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-phenoxyphenyl)-1H-pyrazole
CID 2806138
3-(4-(4-Fluorophenoxy)phenyl)-1H-pyrazole
CID 9816478
5-(6-methoxy-2-naphthyl)-1H-pyrazole
CID 2740829
4-(4-methoxyphenyl)-3-methyl-1H-pyrazole
CID 2805464
3-(4-Methoxyphenyl)-1H-Pyrazole
CID 599984
3-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 745487
3-(3-Methoxyphenyl)-1H-Pyrazole
CID 2736766
3-(3-Methoxyphenyl)-5-(Trifluoromethyl)-1h-Pyrazole
CID 22352557
5-(4-Butoxy-phenyl)-1H-pyrazole
CID 10198293
5-(4-Butoxy-phenyl)-4-methyl-1H-pyrazole
CID 11322177
7-Methoxy-4,5-dihydro-1H-benzo[g]indazole
CID 284711
2,4-Dihydrochromeno[4,3-c]pyrazole
CID 3785748

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole (CID 121222980) is 4-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole is COc1cccc(-c2cn[nH]c2C(F)(F)F)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is PPAAOPNXSJYEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-17-8-4-2-3-7(5-8)9-6-15-16-10(9)11(12,13)14/h2-6H,1H3,(H,15,16).
What are the key properties of 4-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole?
4-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 242.20 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 121222980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).