2-(5-amino-3-methylpyrazol-1-yl)-N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]acetamide

C17H21FN4O3 — CID 91793204

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]acetamide
SMILESCc1cc(N)n(CC(=O)N[C@@H]2CCOC[C@H]2Oc2cccc(F)c2)n1
InChIInChI=1S/C17H21FN4O3/c1-11-7-16(19)22(21-11)9-17(23)20-14-5-6-24-10-15(14)25-13-4-2-3-12(18)8-13/h2-4,7-8,14-15H,5-6,9-10,19H2,1H3,(H,20,23)/t14-,15-/m1/s1
InChIKeyURIDCEKKNXUANN-HUUCEWRRSA-N
MW348.38 g/mol
LogP1.27
Rot. Bonds5

About 2-(5-amino-3-methylpyrazol-1-yl)-N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]acetamide

2-(5-amino-3-methylpyrazol-1-yl)-N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]acetamide (PubChem CID 91793204) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]acetamide
PubChem CID91793204
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]acetamide
SMILESCc1cc(N)n(CC(=O)N[C@@H]2CCOC[C@H]2Oc2cccc(F)c2)n1
InChIInChI=1S/C17H21FN4O3/c1-11-7-16(19)22(21-11)9-17(23)20-14-5-6-24-10-15(14)25-13-4-2-3-12(18)8-13/h2-4,7-8,14-15H,5-6,9-10,19H2,1H3,(H,20,23)/t14-,15-/m1/s1
InChIKeyURIDCEKKNXUANN-HUUCEWRRSA-N
XLogP1.27
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(5-amino-3-methylpyrazol-1-yl)-N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]acetamide with MolForge

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Related Compounds

2-(5-aminotetrazol-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 91782920
N-[3-(3-fluorophenoxy)oxan-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 156609816
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
CID 91769787
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone
CID 91830744
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 91794535
2-ethoxy-N-[4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 156609137
N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 91790406
2-(5-amino-3-methylpyrazol-1-yl)-N-[4-(3,5-difluorophenoxy)cyclohexyl]acetamide
CID 175640635
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 136607705
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 90653248
2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide
CID 91796753
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 91779153

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]acetamide?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]acetamide (CID 91793204) is 2-(5-amino-3-methylpyrazol-1-yl)-N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]acetamide.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]acetamide?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]acetamide is Cc1cc(N)n(CC(=O)N[C@@H]2CCOC[C@H]2Oc2cccc(F)c2)n1.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]acetamide?
The InChIKey is URIDCEKKNXUANN-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-11-7-16(19)22(21-11)9-17(23)20-14-5-6-24-10-15(14)25-13-4-2-3-12(18)8-13/h2-4,7-8,14-15H,5-6,9-10,19H2,1H3,(H,20,23)/t14-,15-/m1/s1.
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]acetamide?
2-(5-amino-3-methylpyrazol-1-yl)-N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]acetamide has a molecular weight of 348.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]acetamide is sourced from PubChem (CID 91793204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).