4-(1,3-dioxolan-2-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole

C14H13F3N2O3 — CID 167784680

IUPAC4-(1,3-dioxolan-2-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)(F)c1cccc(-n2cc(OCC3OCCO3)cn2)c1
InChIInChI=1S/C14H13F3N2O3/c15-14(16,17)10-2-1-3-11(6-10)19-8-12(7-18-19)22-9-13-20-4-5-21-13/h1-3,6-8,13H,4-5,9H2
InChIKeyWRJVUKISZROEOH-UHFFFAOYSA-N
MW314.26 g/mol
LogP2.64
Rot. Bonds4

About 4-(1,3-dioxolan-2-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole

4-(1,3-dioxolan-2-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole (PubChem CID 167784680) has the molecular formula C14H13F3N2O3 and a molecular weight of 314.26 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole
PubChem CID167784680
Molecular FormulaC14H13F3N2O3
Molecular Weight314.26 g/mol
Exact Mass314.09
IUPAC Name4-(1,3-dioxolan-2-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)(F)c1cccc(-n2cc(OCC3OCCO3)cn2)c1
InChIInChI=1S/C14H13F3N2O3/c15-14(16,17)10-2-1-3-11(6-10)19-8-12(7-18-19)22-9-13-20-4-5-21-13/h1-3,6-8,13H,4-5,9H2
InChIKeyWRJVUKISZROEOH-UHFFFAOYSA-N
XLogP2.64
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(1,3-dioxolan-2-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(azetidin-3-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 117230309
3-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxymethyl]-1,2-oxazole
CID 167969681
1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine
CID 117230336
N-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine
CID 117230337
N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 56790114
4-(oxan-4-ylmethoxy)-1-phenylpyrazole
CID 117233853
tert-butyl 3-methyl-3-[[4-[2-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethyl]-2,3-dihydro-1,3-thiazol-2-yl]sulfanyl]butanoate
CID 162552498
5-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 162542331
2-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanol
CID 117230397
4-(azetidin-3-ylmethoxy)-1-(3-bromophenyl)pyrazole
CID 117230313
3-[4-(pyrrolidin-3-ylmethoxy)pyrazol-1-yl]phenol
CID 117230320
4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 1479198

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 4-(1,3-dioxolan-2-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole (CID 167784680) is 4-(1,3-dioxolan-2-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 4-(1,3-dioxolan-2-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 4-(1,3-dioxolan-2-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole is FC(F)(F)c1cccc(-n2cc(OCC3OCCO3)cn2)c1.
What is the InChIKey of 4-(1,3-dioxolan-2-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is WRJVUKISZROEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3/c15-14(16,17)10-2-1-3-11(6-10)19-8-12(7-18-19)22-9-13-20-4-5-21-13/h1-3,6-8,13H,4-5,9H2.
What are the key properties of 4-(1,3-dioxolan-2-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole?
4-(1,3-dioxolan-2-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 314.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 167784680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).