1,3-dimethyl-5-[[4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole

C16H15F3N4 — CID 118864240

IUPAC1,3-dimethyl-5-[[4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole
SMILESCc1cc(Cn2cc(-c3cccc(C(F)(F)F)c3)cn2)n(C)n1
InChIInChI=1S/C16H15F3N4/c1-11-6-15(22(2)21-11)10-23-9-13(8-20-23)12-4-3-5-14(7-12)16(17,18)19/h3-9H,10H2,1-2H3
InChIKeyCJDZRSVYGKAPJM-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.66
Rot. Bonds3

About 1,3-dimethyl-5-[[4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole

1,3-dimethyl-5-[[4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole (PubChem CID 118864240) has the molecular formula C16H15F3N4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole.

Molecular Properties

Compound Name1,3-dimethyl-5-[[4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole
PubChem CID118864240
Molecular FormulaC16H15F3N4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name1,3-dimethyl-5-[[4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole
SMILESCc1cc(Cn2cc(-c3cccc(C(F)(F)F)c3)cn2)n(C)n1
InChIInChI=1S/C16H15F3N4/c1-11-6-15(22(2)21-11)10-23-9-13(8-20-23)12-4-3-5-14(7-12)16(17,18)19/h3-9H,10H2,1-2H3
InChIKeyCJDZRSVYGKAPJM-UHFFFAOYSA-N
XLogP3.66
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Fezolamine
CID 54567
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
4-(3-methylphenyl)-1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]triazole
CID 152058632
4-(4-Methylphenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152221091
4-(2-Fluorophenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152346369
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538
3-(3,4-difluorophenyl)-2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 21992681
4-[3-(4-Fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridine
CID 22037373
4-[4-chloro-3-(difluoromethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
CID 118864313

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole?
The IUPAC name of 1,3-dimethyl-5-[[4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole (CID 118864240) is 1,3-dimethyl-5-[[4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole.
What is the SMILES notation for 1,3-dimethyl-5-[[4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole?
The canonical SMILES for 1,3-dimethyl-5-[[4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole is Cc1cc(Cn2cc(-c3cccc(C(F)(F)F)c3)cn2)n(C)n1.
What is the InChIKey of 1,3-dimethyl-5-[[4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole?
The InChIKey is CJDZRSVYGKAPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4/c1-11-6-15(22(2)21-11)10-23-9-13(8-20-23)12-4-3-5-14(7-12)16(17,18)19/h3-9H,10H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[[4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole?
1,3-dimethyl-5-[[4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole has a molecular weight of 320.32 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole is sourced from PubChem (CID 118864240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).