N-(2-benzylpyrazol-3-yl)-2-(4-fluorophenoxy)butanamide

C20H20FN3O2 — CID 45155158

IUPACN-(2-benzylpyrazol-3-yl)-2-(4-fluorophenoxy)butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C20H20FN3O2/c1-2-18(26-17-10-8-16(21)9-11-17)20(25)23-19-12-13-22-24(19)14-15-6-4-3-5-7-15/h3-13,18H,2,14H2,1H3,(H,23,25)
InChIKeySTFACMOUBINBSM-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.87
Rot. Bonds7

About N-(2-benzylpyrazol-3-yl)-2-(4-fluorophenoxy)butanamide

N-(2-benzylpyrazol-3-yl)-2-(4-fluorophenoxy)butanamide (PubChem CID 45155158) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)-2-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-(2-benzylpyrazol-3-yl)-2-(4-fluorophenoxy)butanamide
PubChem CID45155158
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-(2-benzylpyrazol-3-yl)-2-(4-fluorophenoxy)butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C20H20FN3O2/c1-2-18(26-17-10-8-16(21)9-11-17)20(25)23-19-12-13-22-24(19)14-15-6-4-3-5-7-15/h3-13,18H,2,14H2,1H3,(H,23,25)
InChIKeySTFACMOUBINBSM-UHFFFAOYSA-N
XLogP3.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide
CID 30804831
(2R)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 26725935
(2S)-2-(4-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide
CID 35579924
2-(4-fluorophenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 51064444
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18102461
N-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide
CID 46771035
(2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 35576672
N-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide
CID 45155186
(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide
CID 99952431
(2R)-2-(4-fluorophenoxy)-N-pyridin-3-ylbutanamide
CID 99131304
(2R)-2-(4-fluorophenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569000
N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide
CID 7492056

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrazol-3-yl)-2-(4-fluorophenoxy)butanamide?
The IUPAC name of N-(2-benzylpyrazol-3-yl)-2-(4-fluorophenoxy)butanamide (CID 45155158) is N-(2-benzylpyrazol-3-yl)-2-(4-fluorophenoxy)butanamide.
What is the SMILES notation for N-(2-benzylpyrazol-3-yl)-2-(4-fluorophenoxy)butanamide?
The canonical SMILES for N-(2-benzylpyrazol-3-yl)-2-(4-fluorophenoxy)butanamide is CCC(Oc1ccc(F)cc1)C(=O)Nc1ccnn1Cc1ccccc1.
What is the InChIKey of N-(2-benzylpyrazol-3-yl)-2-(4-fluorophenoxy)butanamide?
The InChIKey is STFACMOUBINBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-2-18(26-17-10-8-16(21)9-11-17)20(25)23-19-12-13-22-24(19)14-15-6-4-3-5-7-15/h3-13,18H,2,14H2,1H3,(H,23,25).
What are the key properties of N-(2-benzylpyrazol-3-yl)-2-(4-fluorophenoxy)butanamide?
N-(2-benzylpyrazol-3-yl)-2-(4-fluorophenoxy)butanamide has a molecular weight of 353.40 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpyrazol-3-yl)-2-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 45155158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).