1-methyl-N-[2-(propan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

C16H18F3N3O2 — CID 59559824

IUPAC1-methyl-N-[2-(propan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)OCc1ccccc1NC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C16H18F3N3O2/c1-10(2)24-9-11-6-4-5-7-13(11)20-15(23)12-8-22(3)21-14(12)16(17,18)19/h4-8,10H,9H2,1-3H3,(H,20,23)
InChIKeyUDCIBOANDGSDMY-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.62
Rot. Bonds5

About 1-methyl-N-[2-(propan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-[2-(propan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 59559824) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 1-methyl-N-[2-(propan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(propan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID59559824
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name1-methyl-N-[2-(propan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)OCc1ccccc1NC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C16H18F3N3O2/c1-10(2)24-9-11-6-4-5-7-13(11)20-15(23)12-8-22(3)21-14(12)16(17,18)19/h4-8,10H,9H2,1-3H3,(H,20,23)
InChIKeyUDCIBOANDGSDMY-UHFFFAOYSA-N
XLogP3.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(hydroxymethyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide;2-iodopropane;1-methyl-N-[2-(propan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 161349941
1-methyl-N-[2-(C-methyl-N-phenoxycarbonimidoyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 72611272
N-[2-(2-bromophenoxy)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 132576443
N-[2-(5-chloro-2-fluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 68915098
1-methyl-N-[2-(3-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 150231794
ethane;N-[2-[4-[(E)-methoxyiminomethyl]phenyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 142109319
N-(2-fluoro-4-phenylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 166193265
N-[2-(3-cyclopropylcyclobutyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 70888464
N-(2,5-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008319
N-[2-(2-cyclopropylcyclopropyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 16718598
3-(difluoromethyl)-1-methyl-N-[2-(4,4,4-trifluoro-3-methylbutyl)phenyl]pyrazole-4-carboxamide
CID 57497963
4-fluoro-3-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]benzoic acid
CID 75516525

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(propan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-(propan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 59559824) is 1-methyl-N-[2-(propan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(propan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(propan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is CC(C)OCc1ccccc1NC(=O)c1cn(C)nc1C(F)(F)F.
What is the InChIKey of 1-methyl-N-[2-(propan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is UDCIBOANDGSDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-10(2)24-9-11-6-4-5-7-13(11)20-15(23)12-8-22(3)21-14(12)16(17,18)19/h4-8,10H,9H2,1-3H3,(H,20,23).
What are the key properties of 1-methyl-N-[2-(propan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-[2-(propan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 341.33 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(propan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 59559824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).