2-(4-fluorophenoxy)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide

C17H20FN3O3 — CID 91781314

IUPAC2-(4-fluorophenoxy)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCn1cc(C(NC(=O)COc2ccc(F)cc2)C2CC(O)C2)cn1
InChIInChI=1S/C17H20FN3O3/c1-21-9-12(8-19-21)17(11-6-14(22)7-11)20-16(23)10-24-15-4-2-13(18)3-5-15/h2-5,8-9,11,14,17,22H,6-7,10H2,1H3,(H,20,23)
InChIKeyHLRUHMJLSTUISD-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.57
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide

2-(4-fluorophenoxy)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 91781314) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID91781314
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name2-(4-fluorophenoxy)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCn1cc(C(NC(=O)COc2ccc(F)cc2)C2CC(O)C2)cn1
InChIInChI=1S/C17H20FN3O3/c1-21-9-12(8-19-21)17(11-6-14(22)7-11)20-16(23)10-24-15-4-2-13(18)3-5-15/h2-5,8-9,11,14,17,22H,6-7,10H2,1H3,(H,20,23)
InChIKeyHLRUHMJLSTUISD-UHFFFAOYSA-N
XLogP1.57
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91772771
4-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 91788133
2-chloro-5-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91763580
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
CID 91791060
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 91784342
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
CID 136889983
2-(2,3-dihydroindol-1-yl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
CID 91782873
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylpropanamide
CID 91773302
3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 91775812
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 91771631
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 91776644
2-(4-fluorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274335

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide (CID 91781314) is 2-(4-fluorophenoxy)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide is Cn1cc(C(NC(=O)COc2ccc(F)cc2)C2CC(O)C2)cn1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is HLRUHMJLSTUISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-21-9-12(8-19-21)17(11-6-14(22)7-11)20-16(23)10-24-15-4-2-13(18)3-5-15/h2-5,8-9,11,14,17,22H,6-7,10H2,1H3,(H,20,23).
What are the key properties of 2-(4-fluorophenoxy)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide?
2-(4-fluorophenoxy)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 333.36 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 91781314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).