N-(2-butylpyrazol-3-yl)-2-(3-fluorophenoxy)propanamide

C16H20FN3O2 — CID 78864792

IUPACN-(2-butylpyrazol-3-yl)-2-(3-fluorophenoxy)propanamide
SMILESCCCCn1nccc1NC(=O)C(C)Oc1cccc(F)c1
InChIInChI=1S/C16H20FN3O2/c1-3-4-10-20-15(8-9-18-20)19-16(21)12(2)22-14-7-5-6-13(17)11-14/h5-9,11-12H,3-4,10H2,1-2H3,(H,19,21)
InChIKeyWAIQWDNQWIHKCO-UHFFFAOYSA-N
MW305.35 g/mol
LogP3.23
Rot. Bonds7

About N-(2-butylpyrazol-3-yl)-2-(3-fluorophenoxy)propanamide

N-(2-butylpyrazol-3-yl)-2-(3-fluorophenoxy)propanamide (PubChem CID 78864792) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is N-(2-butylpyrazol-3-yl)-2-(3-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-butylpyrazol-3-yl)-2-(3-fluorophenoxy)propanamide
PubChem CID78864792
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC NameN-(2-butylpyrazol-3-yl)-2-(3-fluorophenoxy)propanamide
SMILESCCCCn1nccc1NC(=O)C(C)Oc1cccc(F)c1
InChIInChI=1S/C16H20FN3O2/c1-3-4-10-20-15(8-9-18-20)19-16(21)12(2)22-14-7-5-6-13(17)11-14/h5-9,11-12H,3-4,10H2,1-2H3,(H,19,21)
InChIKeyWAIQWDNQWIHKCO-UHFFFAOYSA-N
XLogP3.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 60557713
(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide
CID 30804831
N-(2-ethylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86918484
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18102461
(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
(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
(E)-N-(2-butylpyrazol-3-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 86983051
2-(3-fluorophenoxy)-N-[2-(hydroxymethyl)phenyl]propanamide
CID 61497915
(2S)-2-(4-ethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide
CID 39834957

Frequently Asked Questions

What is the IUPAC name of N-(2-butylpyrazol-3-yl)-2-(3-fluorophenoxy)propanamide?
The IUPAC name of N-(2-butylpyrazol-3-yl)-2-(3-fluorophenoxy)propanamide (CID 78864792) is N-(2-butylpyrazol-3-yl)-2-(3-fluorophenoxy)propanamide.
What is the SMILES notation for N-(2-butylpyrazol-3-yl)-2-(3-fluorophenoxy)propanamide?
The canonical SMILES for N-(2-butylpyrazol-3-yl)-2-(3-fluorophenoxy)propanamide is CCCCn1nccc1NC(=O)C(C)Oc1cccc(F)c1.
What is the InChIKey of N-(2-butylpyrazol-3-yl)-2-(3-fluorophenoxy)propanamide?
The InChIKey is WAIQWDNQWIHKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-3-4-10-20-15(8-9-18-20)19-16(21)12(2)22-14-7-5-6-13(17)11-14/h5-9,11-12H,3-4,10H2,1-2H3,(H,19,21).
What are the key properties of N-(2-butylpyrazol-3-yl)-2-(3-fluorophenoxy)propanamide?
N-(2-butylpyrazol-3-yl)-2-(3-fluorophenoxy)propanamide has a molecular weight of 305.35 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butylpyrazol-3-yl)-2-(3-fluorophenoxy)propanamide is sourced from PubChem (CID 78864792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).