2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide

C16H15F4N3O — CID 4765842

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)NCc1ccccc1F
InChIInChI=1S/C16H15F4N3O/c17-12-4-2-1-3-11(12)8-21-15(24)9-23-13(10-5-6-10)7-14(22-23)16(18,19)20/h1-4,7,10H,5-6,8-9H2,(H,21,24)
InChIKeyMWBQKBLTLVYONJ-UHFFFAOYSA-N
MW341.31 g/mol
LogP3.23
Rot. Bonds5

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 4765842) has the molecular formula C16H15F4N3O and a molecular weight of 341.31 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID4765842
Molecular FormulaC16H15F4N3O
Molecular Weight341.31 g/mol
Exact Mass341.12
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)NCc1ccccc1F
InChIInChI=1S/C16H15F4N3O/c17-12-4-2-1-3-11(12)8-21-15(24)9-23-13(10-5-6-10)7-14(22-23)16(18,19)20/h1-4,7,10H,5-6,8-9H2,(H,21,24)
InChIKeyMWBQKBLTLVYONJ-UHFFFAOYSA-N
XLogP3.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide
CID 762228
2-(3,5-dimethylpyrazolyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 856236
N-benzyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 653962
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-methylphenyl)acetamide
CID 844032
3-(2-fluorophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acrylamide
CID 1224573
N-(1-phenylethyl)-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide
CID 3136370
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-3-phenylpropanamide
CID 661785
5-Cyclopropyl-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)-1H-pyrazole-1-acetamide
CID 843371
2-(3,5-Dimethyl-pyrazol-1-yl)-N-phenyl-acetamide
CID 2053745
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-methylphenyl)acetamide
CID 4766015
N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 6907378
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-{3-oxo-1-[2-(trifluoromethyl)benzyl]-2-piperazinyl}acetamide
CID 16187815

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide (CID 4765842) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide is O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NCc1ccccc1F.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is MWBQKBLTLVYONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N3O/c17-12-4-2-1-3-11(12)8-21-15(24)9-23-13(10-5-6-10)7-14(22-23)16(18,19)20/h1-4,7,10H,5-6,8-9H2,(H,21,24).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 341.31 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 4765842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).