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

C11H8ClF3N2O — CID 70301455

IUPAC4-(3-chloro-4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCOc1ccc(-c2cn[nH]c2C(F)(F)F)cc1Cl
InChIInChI=1S/C11H8ClF3N2O/c1-18-9-3-2-6(4-8(9)12)7-5-16-17-10(7)11(13,14)15/h2-5H,1H3,(H,16,17)
InChIKeyNULDDLYMVKIARR-UHFFFAOYSA-N
MW276.65 g/mol
LogP3.76
Rot. Bonds2

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

4-(3-chloro-4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 70301455) has the molecular formula C11H8ClF3N2O and a molecular weight of 276.65 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID70301455
Molecular FormulaC11H8ClF3N2O
Molecular Weight276.65 g/mol
Exact Mass276.03
IUPAC Name4-(3-chloro-4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCOc1ccc(-c2cn[nH]c2C(F)(F)F)cc1Cl
InChIInChI=1S/C11H8ClF3N2O/c1-18-9-3-2-6(4-8(9)12)7-5-16-17-10(7)11(13,14)15/h2-5H,1H3,(H,16,17)
InChIKeyNULDDLYMVKIARR-UHFFFAOYSA-N
XLogP3.76
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.65
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenyl)-3-methyl-1H-pyrazole
CID 2805464
N'-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 117671021
N'-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 117673395
N'-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N'-methylethane-1,2-diamine
CID 122180641
1-[3-(4-Methoxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 16767326
5-(3-fluoro-4-methoxyphenyl)-4-methyl-1H-pyrazole
CID 1482912
5-chloro-3-(4-methoxyphenyl)-4-(2,4,6-trifluorophenyl)-1H-pyrazole
CID 66880692
5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine
CID 118522324
4-chloro-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
CID 61394913
4-(4-chloro-3-methoxyphenyl)-1H-pyrazole
CID 155293604
4-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 121222980
4-(4-methoxyphenyl)-5-phenyl-1H-pyrazole
CID 60131470

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole (CID 70301455) is 4-(3-chloro-4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole is COc1ccc(-c2cn[nH]c2C(F)(F)F)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is NULDDLYMVKIARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O/c1-18-9-3-2-6(4-8(9)12)7-5-16-17-10(7)11(13,14)15/h2-5H,1H3,(H,16,17).
What are the key properties of 4-(3-chloro-4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole?
4-(3-chloro-4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 276.65 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 70301455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).