2,2-dimethyl-N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propanamide

C17H17F6N3O — CID 2809610

IUPAC2,2-dimethyl-N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propanamide
SMILESCn1nc(C(F)(F)F)c(-c2cccc(C(F)(F)F)c2)c1NC(=O)C(C)(C)C
InChIInChI=1S/C17H17F6N3O/c1-15(2,3)14(27)24-13-11(12(17(21,22)23)25-26(13)4)9-6-5-7-10(8-9)16(18,19)20/h5-8H,1-4H3,(H,24,27)
InChIKeyPEBFEWQJNVPTHE-UHFFFAOYSA-N
MW393.33 g/mol
LogP5.11
Rot. Bonds2

About 2,2-dimethyl-N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propanamide

2,2-dimethyl-N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propanamide (PubChem CID 2809610) has the molecular formula C17H17F6N3O and a molecular weight of 393.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propanamide
PubChem CID2809610
Molecular FormulaC17H17F6N3O
Molecular Weight393.33 g/mol
Exact Mass393.13
IUPAC Name2,2-dimethyl-N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propanamide
SMILESCn1nc(C(F)(F)F)c(-c2cccc(C(F)(F)F)c2)c1NC(=O)C(C)(C)C
InChIInChI=1S/C17H17F6N3O/c1-15(2,3)14(27)24-13-11(12(17(21,22)23)25-26(13)4)9-6-5-7-10(8-9)16(18,19)20/h5-8H,1-4H3,(H,24,27)
InChIKeyPEBFEWQJNVPTHE-UHFFFAOYSA-N
XLogP5.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.33
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea
CID 2810695
3-fluoro-N-[3-methyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]benzamide
CID 1510958
1,4-dimethyl-3-phenyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135418904
5-Methyl-3-phenyl-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875697
1-Methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 2740916
5-Methyl-3-phenyl-4,5,7-triazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3-trien-8-one
CID 135875702
N-[4-(4-bromophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-(2-fluorophenyl)acetamide
CID 2809416
1-(2,4-Difluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea
CID 2810118
1-[4-(4-Fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-phenyl-urea
CID 2810694
1-(4-Fluorophenyl)-3-[2-methyl-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea
CID 2810697
N-(3-tert-Butyl-1-methyl-5-pyrazolyl)-N'-(4-(4-acetaminophenyl)methylphenyl)urea
CID 44286313
2-[(2-{[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)thio]acetic acid
CID 2809958

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propanamide (CID 2809610) is 2,2-dimethyl-N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propanamide is Cn1nc(C(F)(F)F)c(-c2cccc(C(F)(F)F)c2)c1NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propanamide?
The InChIKey is PEBFEWQJNVPTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F6N3O/c1-15(2,3)14(27)24-13-11(12(17(21,22)23)25-26(13)4)9-6-5-7-10(8-9)16(18,19)20/h5-8H,1-4H3,(H,24,27).
What are the key properties of 2,2-dimethyl-N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propanamide?
2,2-dimethyl-N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propanamide has a molecular weight of 393.33 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propanamide is sourced from PubChem (CID 2809610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).