3-fluoro-3-(hydroxymethyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide

C14H20FN3O3 — CID 167869270

IUPAC3-fluoro-3-(hydroxymethyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide
SMILESO=C(Nc1ccnn1CC1CCOC1)C1CC(F)(CO)C1
InChIInChI=1S/C14H20FN3O3/c15-14(9-19)5-11(6-14)13(20)17-12-1-3-16-18(12)7-10-2-4-21-8-10/h1,3,10-11,19H,2,4-9H2,(H,17,20)
InChIKeyMDAGXLUXHFMYDO-UHFFFAOYSA-N
MW297.33 g/mol
LogP0.97
Rot. Bonds5

About 3-fluoro-3-(hydroxymethyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide

3-fluoro-3-(hydroxymethyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide (PubChem CID 167869270) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is 3-fluoro-3-(hydroxymethyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-3-(hydroxymethyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide
PubChem CID167869270
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC Name3-fluoro-3-(hydroxymethyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide
SMILESO=C(Nc1ccnn1CC1CCOC1)C1CC(F)(CO)C1
InChIInChI=1S/C14H20FN3O3/c15-14(9-19)5-11(6-14)13(20)17-12-1-3-16-18(12)7-10-2-4-21-8-10/h1,3,10-11,19H,2,4-9H2,(H,17,20)
InChIKeyMDAGXLUXHFMYDO-UHFFFAOYSA-N
XLogP0.97
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-3-(hydroxymethyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(hydroxymethyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide?
The IUPAC name of 3-fluoro-3-(hydroxymethyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide (CID 167869270) is 3-fluoro-3-(hydroxymethyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-fluoro-3-(hydroxymethyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-fluoro-3-(hydroxymethyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide is O=C(Nc1ccnn1CC1CCOC1)C1CC(F)(CO)C1.
What is the InChIKey of 3-fluoro-3-(hydroxymethyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide?
The InChIKey is MDAGXLUXHFMYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3/c15-14(9-19)5-11(6-14)13(20)17-12-1-3-16-18(12)7-10-2-4-21-8-10/h1,3,10-11,19H,2,4-9H2,(H,17,20).
What are the key properties of 3-fluoro-3-(hydroxymethyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide?
3-fluoro-3-(hydroxymethyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide has a molecular weight of 297.33 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(hydroxymethyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 167869270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).