N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]-2-(1H-pyrazol-4-yl)acetamide

C16H15F4N3O — CID 166268545

IUPACN-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]-2-(1H-pyrazol-4-yl)acetamide
SMILESO=C(Cc1cn[nH]c1)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H15F4N3O/c17-13-5-11(4-12(6-13)16(18,19)20)15(1-2-15)9-21-14(24)3-10-7-22-23-8-10/h4-8H,1-3,9H2,(H,21,24)(H,22,23)
InChIKeyRUMMEFFDYPZLKW-UHFFFAOYSA-N
MW341.31 g/mol
LogP2.96
Rot. Bonds5

About N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]-2-(1H-pyrazol-4-yl)acetamide

N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]-2-(1H-pyrazol-4-yl)acetamide (PubChem CID 166268545) has the molecular formula C16H15F4N3O and a molecular weight of 341.31 g/mol. Its IUPAC name is N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]-2-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]-2-(1H-pyrazol-4-yl)acetamide
PubChem CID166268545
Molecular FormulaC16H15F4N3O
Molecular Weight341.31 g/mol
Exact Mass341.12
IUPAC NameN-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]-2-(1H-pyrazol-4-yl)acetamide
SMILESO=C(Cc1cn[nH]c1)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H15F4N3O/c17-13-5-11(4-12(6-13)16(18,19)20)15(1-2-15)9-21-14(24)3-10-7-22-23-8-10/h4-8H,1-3,9H2,(H,21,24)(H,22,23)
InChIKeyRUMMEFFDYPZLKW-UHFFFAOYSA-N
XLogP2.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]-2-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]-2-(1H-pyrazol-4-yl)acetamide (CID 166268545) is N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]-2-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]-2-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]-2-(1H-pyrazol-4-yl)acetamide is O=C(Cc1cn[nH]c1)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]-2-(1H-pyrazol-4-yl)acetamide?
The InChIKey is RUMMEFFDYPZLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N3O/c17-13-5-11(4-12(6-13)16(18,19)20)15(1-2-15)9-21-14(24)3-10-7-22-23-8-10/h4-8H,1-3,9H2,(H,21,24)(H,22,23).
What are the key properties of N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]-2-(1H-pyrazol-4-yl)acetamide?
N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]-2-(1H-pyrazol-4-yl)acetamide has a molecular weight of 341.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]-2-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 166268545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).