3-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]-N-methylcyclobutane-1-carboxamide

C17H17FN4O — CID 118060138

IUPAC3-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]-N-methylcyclobutane-1-carboxamide
SMILESCNC(=O)C1CC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)C1
InChIInChI=1S/C17H17FN4O/c1-19-17(23)10-4-13(5-10)22-9-11(7-21-22)15-8-20-16-6-12(18)2-3-14(15)16/h2-3,6-10,13,20H,4-5H2,1H3,(H,19,23)
InChIKeyBEBGEKLAVUIWMJ-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.87
Rot. Bonds3

About 3-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]-N-methylcyclobutane-1-carboxamide

3-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]-N-methylcyclobutane-1-carboxamide (PubChem CID 118060138) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 3-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]-N-methylcyclobutane-1-carboxamide
PubChem CID118060138
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name3-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]-N-methylcyclobutane-1-carboxamide
SMILESCNC(=O)C1CC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)C1
InChIInChI=1S/C17H17FN4O/c1-19-17(23)10-4-13(5-10)22-9-11(7-21-22)15-8-20-16-6-12(18)2-3-14(15)16/h2-3,6-10,13,20H,4-5H2,1H3,(H,19,23)
InChIKeyBEBGEKLAVUIWMJ-UHFFFAOYSA-N
XLogP2.87
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
CID 132186817
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-[(E)-(2-methyl-1H-indol-3-yl)methylidene]propanehydrazide
CID 135606750
N-[3-(1H-indol-2-yl)phenyl]-1-[(1-isopropylpyrazol-4-yl)methyl]nipecotamide
CID 24819222
N-[1-(4-fluorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 4827455
N'-[(E)-1H-indol-3-ylmethylidene]-1H-pyrazole-3-carbohydrazide
CID 135510250
(E)-N'-((1H-indol-3-yl)methylene)-3-isopropyl-1H-pyrazole-5-carbohydrazide
CID 135642422
N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide
CID 6875058
N-Isopropyl-N-(2-methyl-2H-pyrazol-3-ylmethyl)-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10156985
N-Isopropyl-N-(1-methyl-1H-pyrazol-3-ylmethyl)-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10221771
N-Isopropyl-N-(1-methyl-1H-pyrazol-4-ylmethyl)-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10271497
4-(5-fluoro-1H-indol-3-yl)-N-methylbutanamide
CID 19696832
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]cyclopropanecarboxamide
CID 44540492

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 3-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]-N-methylcyclobutane-1-carboxamide (CID 118060138) is 3-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 3-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]-N-methylcyclobutane-1-carboxamide is CNC(=O)C1CC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)C1.
What is the InChIKey of 3-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]-N-methylcyclobutane-1-carboxamide?
The InChIKey is BEBGEKLAVUIWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-19-17(23)10-4-13(5-10)22-9-11(7-21-22)15-8-20-16-6-12(18)2-3-14(15)16/h2-3,6-10,13,20H,4-5H2,1H3,(H,19,23).
What are the key properties of 3-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]-N-methylcyclobutane-1-carboxamide?
3-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]-N-methylcyclobutane-1-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 118060138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).