N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]propanamide

C15H18FN3O2 — CID 39854000

IUPACN-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
SMILESCCC(=O)Nc1c(C)nn(COc2cccc(F)c2)c1C
InChIInChI=1S/C15H18FN3O2/c1-4-14(20)17-15-10(2)18-19(11(15)3)9-21-13-7-5-6-12(16)8-13/h5-8H,4,9H2,1-3H3,(H,17,20)
InChIKeyFFEGVGJMPCJIGR-UHFFFAOYSA-N
MW291.33 g/mol
LogP3.02
Rot. Bonds5

About N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]propanamide

N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]propanamide (PubChem CID 39854000) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
PubChem CID39854000
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
SMILESCCC(=O)Nc1c(C)nn(COc2cccc(F)c2)c1C
InChIInChI=1S/C15H18FN3O2/c1-4-14(20)17-15-10(2)18-19(11(15)3)9-21-13-7-5-6-12(16)8-13/h5-8H,4,9H2,1-3H3,(H,17,20)
InChIKeyFFEGVGJMPCJIGR-UHFFFAOYSA-N
XLogP3.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]propanamide?
The IUPAC name of N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]propanamide (CID 39854000) is N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]propanamide.
What is the SMILES notation for N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]propanamide?
The canonical SMILES for N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]propanamide is CCC(=O)Nc1c(C)nn(COc2cccc(F)c2)c1C.
What is the InChIKey of N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]propanamide?
The InChIKey is FFEGVGJMPCJIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-4-14(20)17-15-10(2)18-19(11(15)3)9-21-13-7-5-6-12(16)8-13/h5-8H,4,9H2,1-3H3,(H,17,20).
What are the key properties of N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]propanamide?
N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]propanamide has a molecular weight of 291.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]propanamide is sourced from PubChem (CID 39854000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).