3-fluoro-N-[2-(4-methylpyrazol-1-yl)ethyl]azetidine-1-carboxamide

C10H15FN4O — CID 126776995

IUPAC3-fluoro-N-[2-(4-methylpyrazol-1-yl)ethyl]azetidine-1-carboxamide
SMILESCc1cnn(CCNC(=O)N2CC(F)C2)c1
InChIInChI=1S/C10H15FN4O/c1-8-4-13-15(5-8)3-2-12-10(16)14-6-9(11)7-14/h4-5,9H,2-3,6-7H2,1H3,(H,12,16)
InChIKeyQJEMXIJWJSFOPO-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.55
Rot. Bonds3

About 3-fluoro-N-[2-(4-methylpyrazol-1-yl)ethyl]azetidine-1-carboxamide

3-fluoro-N-[2-(4-methylpyrazol-1-yl)ethyl]azetidine-1-carboxamide (PubChem CID 126776995) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-fluoro-N-[2-(4-methylpyrazol-1-yl)ethyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(4-methylpyrazol-1-yl)ethyl]azetidine-1-carboxamide
PubChem CID126776995
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name3-fluoro-N-[2-(4-methylpyrazol-1-yl)ethyl]azetidine-1-carboxamide
SMILESCc1cnn(CCNC(=O)N2CC(F)C2)c1
InChIInChI=1S/C10H15FN4O/c1-8-4-13-15(5-8)3-2-12-10(16)14-6-9(11)7-14/h4-5,9H,2-3,6-7H2,1H3,(H,12,16)
InChIKeyQJEMXIJWJSFOPO-UHFFFAOYSA-N
XLogP0.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(4-methylpyrazol-1-yl)ethyl]azetidine-1-carboxamide?
The IUPAC name of 3-fluoro-N-[2-(4-methylpyrazol-1-yl)ethyl]azetidine-1-carboxamide (CID 126776995) is 3-fluoro-N-[2-(4-methylpyrazol-1-yl)ethyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-[2-(4-methylpyrazol-1-yl)ethyl]azetidine-1-carboxamide?
The canonical SMILES for 3-fluoro-N-[2-(4-methylpyrazol-1-yl)ethyl]azetidine-1-carboxamide is Cc1cnn(CCNC(=O)N2CC(F)C2)c1.
What is the InChIKey of 3-fluoro-N-[2-(4-methylpyrazol-1-yl)ethyl]azetidine-1-carboxamide?
The InChIKey is QJEMXIJWJSFOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-8-4-13-15(5-8)3-2-12-10(16)14-6-9(11)7-14/h4-5,9H,2-3,6-7H2,1H3,(H,12,16).
What are the key properties of 3-fluoro-N-[2-(4-methylpyrazol-1-yl)ethyl]azetidine-1-carboxamide?
3-fluoro-N-[2-(4-methylpyrazol-1-yl)ethyl]azetidine-1-carboxamide has a molecular weight of 226.25 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(4-methylpyrazol-1-yl)ethyl]azetidine-1-carboxamide is sourced from PubChem (CID 126776995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).