2-(4-fluorophenyl)-N-[2-(3-methylbutyl)pyrazol-3-yl]azetidine-1-carboxamide

C18H23FN4O — CID 118770078

IUPAC2-(4-fluorophenyl)-N-[2-(3-methylbutyl)pyrazol-3-yl]azetidine-1-carboxamide
SMILESCC(C)CCn1nccc1NC(=O)N1CCC1c1ccc(F)cc1
InChIInChI=1S/C18H23FN4O/c1-13(2)8-12-23-17(7-10-20-23)21-18(24)22-11-9-16(22)14-3-5-15(19)6-4-14/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,21,24)
InChIKeyRHOUEKYHLYFYKT-UHFFFAOYSA-N
MW330.41 g/mol
LogP4.05
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[2-(3-methylbutyl)pyrazol-3-yl]azetidine-1-carboxamide

2-(4-fluorophenyl)-N-[2-(3-methylbutyl)pyrazol-3-yl]azetidine-1-carboxamide (PubChem CID 118770078) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(3-methylbutyl)pyrazol-3-yl]azetidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(3-methylbutyl)pyrazol-3-yl]azetidine-1-carboxamide
PubChem CID118770078
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name2-(4-fluorophenyl)-N-[2-(3-methylbutyl)pyrazol-3-yl]azetidine-1-carboxamide
SMILESCC(C)CCn1nccc1NC(=O)N1CCC1c1ccc(F)cc1
InChIInChI=1S/C18H23FN4O/c1-13(2)8-12-23-17(7-10-20-23)21-18(24)22-11-9-16(22)14-3-5-15(19)6-4-14/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,21,24)
InChIKeyRHOUEKYHLYFYKT-UHFFFAOYSA-N
XLogP4.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-(3-methylbutyl)pyrazol-3-yl]azetidine-1-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(3-methylbutyl)pyrazol-3-yl]azetidine-1-carboxamide (CID 118770078) is 2-(4-fluorophenyl)-N-[2-(3-methylbutyl)pyrazol-3-yl]azetidine-1-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(3-methylbutyl)pyrazol-3-yl]azetidine-1-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(3-methylbutyl)pyrazol-3-yl]azetidine-1-carboxamide is CC(C)CCn1nccc1NC(=O)N1CCC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(3-methylbutyl)pyrazol-3-yl]azetidine-1-carboxamide?
The InChIKey is RHOUEKYHLYFYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-13(2)8-12-23-17(7-10-20-23)21-18(24)22-11-9-16(22)14-3-5-15(19)6-4-14/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,21,24).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(3-methylbutyl)pyrazol-3-yl]azetidine-1-carboxamide?
2-(4-fluorophenyl)-N-[2-(3-methylbutyl)pyrazol-3-yl]azetidine-1-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(3-methylbutyl)pyrazol-3-yl]azetidine-1-carboxamide is sourced from PubChem (CID 118770078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).