N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide

C19H24FN3O2 — CID 71970935

IUPACN-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
SMILESCc1nn(C)c(C)c1OCC(=O)N(C)C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H24FN3O2/c1-12-19(13(2)23(4)21-12)25-11-17(24)22(3)18(14-5-6-14)15-7-9-16(20)10-8-15/h7-10,14,18H,5-6,11H2,1-4H3
InChIKeyLOMWBGGOOVIBOJ-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.16
Rot. Bonds6

About N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide

N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide (PubChem CID 71970935) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
PubChem CID71970935
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC NameN-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
SMILESCc1nn(C)c(C)c1OCC(=O)N(C)C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H24FN3O2/c1-12-19(13(2)23(4)21-12)25-11-17(24)22(3)18(14-5-6-14)15-7-9-16(20)10-8-15/h7-10,14,18H,5-6,11H2,1-4H3
InChIKeyLOMWBGGOOVIBOJ-UHFFFAOYSA-N
XLogP3.16
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide?
The IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide (CID 71970935) is N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide.
What is the SMILES notation for N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide?
The canonical SMILES for N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide is Cc1nn(C)c(C)c1OCC(=O)N(C)C(c1ccc(F)cc1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide?
The InChIKey is LOMWBGGOOVIBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-12-19(13(2)23(4)21-12)25-11-17(24)22(3)18(14-5-6-14)15-7-9-16(20)10-8-15/h7-10,14,18H,5-6,11H2,1-4H3.
What are the key properties of N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide?
N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide has a molecular weight of 345.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide is sourced from PubChem (CID 71970935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).