N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-5-(5-fluoro-1H-indol-2-yl)-1-methylpyrazole-3-carboxamide

C18H18F3N5O — CID 135894380

IUPACN-[2-(3,3-difluoroazetidin-1-yl)ethyl]-5-(5-fluoro-1H-indol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCN2CC(F)(F)C2)cc1-c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C18H18F3N5O/c1-25-16(14-7-11-6-12(19)2-3-13(11)23-14)8-15(24-25)17(27)22-4-5-26-9-18(20,21)10-26/h2-3,6-8,23H,4-5,9-10H2,1H3,(H,22,27)
InChIKeyLJCQOOYRGDBFHK-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.39
Rot. Bonds5

About N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-5-(5-fluoro-1H-indol-2-yl)-1-methylpyrazole-3-carboxamide

N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-5-(5-fluoro-1H-indol-2-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 135894380) has the molecular formula C18H18F3N5O and a molecular weight of 377.37 g/mol. Its IUPAC name is N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-5-(5-fluoro-1H-indol-2-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,3-difluoroazetidin-1-yl)ethyl]-5-(5-fluoro-1H-indol-2-yl)-1-methylpyrazole-3-carboxamide
PubChem CID135894380
Molecular FormulaC18H18F3N5O
Molecular Weight377.37 g/mol
Exact Mass377.15
IUPAC NameN-[2-(3,3-difluoroazetidin-1-yl)ethyl]-5-(5-fluoro-1H-indol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCN2CC(F)(F)C2)cc1-c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C18H18F3N5O/c1-25-16(14-7-11-6-12(19)2-3-13(11)23-14)8-15(24-25)17(27)22-4-5-26-9-18(20,21)10-26/h2-3,6-8,23H,4-5,9-10H2,1H3,(H,22,27)
InChIKeyLJCQOOYRGDBFHK-UHFFFAOYSA-N
XLogP2.39
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-5-(5-fluoro-1H-indol-2-yl)-1-methylpyrazole-3-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 N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-5-(5-fluoro-1H-indol-2-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-5-(5-fluoro-1H-indol-2-yl)-1-methylpyrazole-3-carboxamide (CID 135894380) is N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-5-(5-fluoro-1H-indol-2-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-5-(5-fluoro-1H-indol-2-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-5-(5-fluoro-1H-indol-2-yl)-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)NCCN2CC(F)(F)C2)cc1-c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-5-(5-fluoro-1H-indol-2-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is LJCQOOYRGDBFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O/c1-25-16(14-7-11-6-12(19)2-3-13(11)23-14)8-15(24-25)17(27)22-4-5-26-9-18(20,21)10-26/h2-3,6-8,23H,4-5,9-10H2,1H3,(H,22,27).
What are the key properties of N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-5-(5-fluoro-1H-indol-2-yl)-1-methylpyrazole-3-carboxamide?
N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-5-(5-fluoro-1H-indol-2-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 377.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-5-(5-fluoro-1H-indol-2-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 135894380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).