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

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Related Compounds

1-[5-(5-fluoro-1H-indol-2-yl)-1-methylpyrazol-3-yl]-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butan-1-one
CID 158496012
5-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 136985793
1-methyl-5-(5-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid
CID 136985778
N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110356838
N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110309443
5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 46208539
1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 135887171
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110615628
5-(4-fluorophenyl)-1-methyl-N-[2-(4-nitrophenyl)ethyl]pyrazole-3-carboxamide
CID 110311220
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 131898907
5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 46105017
4-(3,3-difluoroazetidin-1-yl)-1-(1-methyl-5-quinolin-3-ylpyrazol-3-yl)butan-1-one
CID 58505826

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).