2-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]-3H-pyrazole

C12H13F3N2O — CID 154020860

IUPAC2-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]-3H-pyrazole
SMILESCN1CC=CN1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O/c1-16-7-2-8-17(16)9-10-3-5-11(6-4-10)18-12(13,14)15/h2-6,8H,7,9H2,1H3
InChIKeyZSKOZGJCLSHOGT-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.76
Rot. Bonds3

About 2-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]-3H-pyrazole

2-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]-3H-pyrazole (PubChem CID 154020860) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]-3H-pyrazole.

Molecular Properties

Compound Name2-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]-3H-pyrazole
PubChem CID154020860
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name2-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]-3H-pyrazole
SMILESCN1CC=CN1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O/c1-16-7-2-8-17(16)9-10-3-5-11(6-4-10)18-12(13,14)15/h2-6,8H,7,9H2,1H3
InChIKeyZSKOZGJCLSHOGT-UHFFFAOYSA-N
XLogP2.76
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol
CID 55169790
3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexane
CID 155353464
2-chloro-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyridine
CID 175576430
4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 118331263
1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-one
CID 116624187
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
2-tert-butyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine
CID 67953462
4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-amine
CID 83008958
2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetonitrile
CID 51078356
N,N-dimethyl-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propanamide
CID 55626011
1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 86928582
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CID 64978933

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]-3H-pyrazole?
The IUPAC name of 2-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]-3H-pyrazole (CID 154020860) is 2-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]-3H-pyrazole.
What is the SMILES notation for 2-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]-3H-pyrazole?
The canonical SMILES for 2-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]-3H-pyrazole is CN1CC=CN1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]-3H-pyrazole?
The InChIKey is ZSKOZGJCLSHOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-16-7-2-8-17(16)9-10-3-5-11(6-4-10)18-12(13,14)15/h2-6,8H,7,9H2,1H3.
What are the key properties of 2-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]-3H-pyrazole?
2-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]-3H-pyrazole has a molecular weight of 258.24 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]-3H-pyrazole is sourced from PubChem (CID 154020860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).