N-[[2-(7-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]acetamide

C14H16FN3O — CID 25117200

IUPACN-[[2-(7-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]acetamide
SMILESCC(=O)NCC1CC1c1ccc(F)c2nn(C)cc12
InChIInChI=1S/C14H16FN3O/c1-8(19)16-6-9-5-11(9)10-3-4-13(15)14-12(10)7-18(2)17-14/h3-4,7,9,11H,5-6H2,1-2H3,(H,16,19)
InChIKeyTXUYWWYDDAGBOZ-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.95
Rot. Bonds3

About N-[[2-(7-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]acetamide

N-[[2-(7-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]acetamide (PubChem CID 25117200) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[[2-(7-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-(7-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]acetamide
PubChem CID25117200
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[[2-(7-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]acetamide
SMILESCC(=O)NCC1CC1c1ccc(F)c2nn(C)cc12
InChIInChI=1S/C14H16FN3O/c1-8(19)16-6-9-5-11(9)10-3-4-13(15)14-12(10)7-18(2)17-14/h3-4,7,9,11H,5-6H2,1-2H3,(H,16,19)
InChIKeyTXUYWWYDDAGBOZ-UHFFFAOYSA-N
XLogP1.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methyl]acetamide
CID 59334474
tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate
CID 59334622
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide
CID 70274106
[2-(2-methylindazol-4-yl)cyclopropyl]methanamine
CID 59334507
N-[[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methyl]ethanamine
CID 83094583
[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methanamine
CID 83094405
N-[[(5S)-3-[3-fluoro-4-[(2S)-3-fluoro-2-methylazetidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70193904
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22625716
N-[[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-2-(methylcarbamoylamino)acetamide
CID 97247707
N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-2-(methylcarbamoylamino)acetamide
CID 97247708
N-[[(1R,5S)-8-[(1,4-dimethylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
CID 166315041

Frequently Asked Questions

What is the IUPAC name of N-[[2-(7-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]acetamide?
The IUPAC name of N-[[2-(7-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]acetamide (CID 25117200) is N-[[2-(7-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for N-[[2-(7-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]acetamide?
The canonical SMILES for N-[[2-(7-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]acetamide is CC(=O)NCC1CC1c1ccc(F)c2nn(C)cc12.
What is the InChIKey of N-[[2-(7-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]acetamide?
The InChIKey is TXUYWWYDDAGBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-8(19)16-6-9-5-11(9)10-3-4-13(15)14-12(10)7-18(2)17-14/h3-4,7,9,11H,5-6H2,1-2H3,(H,16,19).
What are the key properties of N-[[2-(7-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]acetamide?
N-[[2-(7-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]acetamide has a molecular weight of 261.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(7-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 25117200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).