3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide

C17H20FN3O3 — CID 91775812

IUPAC3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(c2cnn(C)c2)C2CC(O)C2)cc1F
InChIInChI=1S/C17H20FN3O3/c1-21-9-12(8-19-21)16(11-5-13(22)6-11)20-17(23)10-3-4-15(24-2)14(18)7-10/h3-4,7-9,11,13,16,22H,5-6H2,1-2H3,(H,20,23)
InChIKeyUWJYIGXTOOHOIY-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.81
Rot. Bonds5

About 3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide

3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide (PubChem CID 91775812) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
PubChem CID91775812
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(c2cnn(C)c2)C2CC(O)C2)cc1F
InChIInChI=1S/C17H20FN3O3/c1-21-9-12(8-19-21)16(11-5-13(22)6-11)20-17(23)10-3-4-15(24-2)14(18)7-10/h3-4,7-9,11,13,16,22H,5-6H2,1-2H3,(H,20,23)
InChIKeyUWJYIGXTOOHOIY-UHFFFAOYSA-N
XLogP1.81
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91795698
4-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 91788133
N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-2-(methylamino)pyrimidine-5-carboxamide
CID 91769864
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 91772963
5-fluoro-2-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91772771
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 91760718
2-chloro-5-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91763580
5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 91790041
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide
CID 91766582
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(5-methylfuran-2-yl)benzamide
CID 91793399
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide
CID 91768715
N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-2-[(3-hydroxycyclobutyl)methyl]quinazoline-7-carboxamide
CID 147374846

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide?
The IUPAC name of 3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide (CID 91775812) is 3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide?
The canonical SMILES for 3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(c2cnn(C)c2)C2CC(O)C2)cc1F.
What is the InChIKey of 3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide?
The InChIKey is UWJYIGXTOOHOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-21-9-12(8-19-21)16(11-5-13(22)6-11)20-17(23)10-3-4-15(24-2)14(18)7-10/h3-4,7-9,11,13,16,22H,5-6H2,1-2H3,(H,20,23).
What are the key properties of 3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide?
3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide has a molecular weight of 333.36 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 91775812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).