2-fluoro-N-(3-hydroxycyclobutyl)-5-(1H-pyrazol-5-yl)benzamide

C14H14FN3O2 — CID 155957417

IUPAC2-fluoro-N-(3-hydroxycyclobutyl)-5-(1H-pyrazol-5-yl)benzamide
SMILESO=C(NC1CC(O)C1)c1cc(-c2ccn[nH]2)ccc1F
InChIInChI=1S/C14H14FN3O2/c15-12-2-1-8(13-3-4-16-18-13)5-11(12)14(20)17-9-6-10(19)7-9/h1-5,9-10,19H,6-7H2,(H,16,18)(H,17,20)
InChIKeyXEUVSQQSHUMPDL-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.47
Rot. Bonds3

About 2-fluoro-N-(3-hydroxycyclobutyl)-5-(1H-pyrazol-5-yl)benzamide

2-fluoro-N-(3-hydroxycyclobutyl)-5-(1H-pyrazol-5-yl)benzamide (PubChem CID 155957417) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-fluoro-N-(3-hydroxycyclobutyl)-5-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-hydroxycyclobutyl)-5-(1H-pyrazol-5-yl)benzamide
PubChem CID155957417
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name2-fluoro-N-(3-hydroxycyclobutyl)-5-(1H-pyrazol-5-yl)benzamide
SMILESO=C(NC1CC(O)C1)c1cc(-c2ccn[nH]2)ccc1F
InChIInChI=1S/C14H14FN3O2/c15-12-2-1-8(13-3-4-16-18-13)5-11(12)14(20)17-9-6-10(19)7-9/h1-5,9-10,19H,6-7H2,(H,16,18)(H,17,20)
InChIKeyXEUVSQQSHUMPDL-UHFFFAOYSA-N
XLogP1.47
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-hydroxycyclobutyl)-5-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 2-fluoro-N-(3-hydroxycyclobutyl)-5-(1H-pyrazol-5-yl)benzamide (CID 155957417) is 2-fluoro-N-(3-hydroxycyclobutyl)-5-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(3-hydroxycyclobutyl)-5-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(3-hydroxycyclobutyl)-5-(1H-pyrazol-5-yl)benzamide is O=C(NC1CC(O)C1)c1cc(-c2ccn[nH]2)ccc1F.
What is the InChIKey of 2-fluoro-N-(3-hydroxycyclobutyl)-5-(1H-pyrazol-5-yl)benzamide?
The InChIKey is XEUVSQQSHUMPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-12-2-1-8(13-3-4-16-18-13)5-11(12)14(20)17-9-6-10(19)7-9/h1-5,9-10,19H,6-7H2,(H,16,18)(H,17,20).
What are the key properties of 2-fluoro-N-(3-hydroxycyclobutyl)-5-(1H-pyrazol-5-yl)benzamide?
2-fluoro-N-(3-hydroxycyclobutyl)-5-(1H-pyrazol-5-yl)benzamide has a molecular weight of 275.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-hydroxycyclobutyl)-5-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 155957417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).