N-[[(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methyl]acetamide

C14H17N3O — CID 59334474

IUPACN-[[(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methyl]acetamide
SMILESCC(=O)NC[C@H]1C[C@@H]1c1cccc2nn(C)cc12
InChIInChI=1S/C14H17N3O/c1-9(18)15-7-10-6-12(10)11-4-3-5-14-13(11)8-17(2)16-14/h3-5,8,10,12H,6-7H2,1-2H3,(H,15,18)/t10-,12+/m1/s1
InChIKeyRLEPKOHOJLKWNK-PWSUYJOCSA-N
MW243.31 g/mol
LogP1.81
Rot. Bonds3

About N-[[(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methyl]acetamide

N-[[(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methyl]acetamide (PubChem CID 59334474) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[[(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methyl]acetamide
PubChem CID59334474
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[[(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methyl]acetamide
SMILESCC(=O)NC[C@H]1C[C@@H]1c1cccc2nn(C)cc12
InChIInChI=1S/C14H17N3O/c1-9(18)15-7-10-6-12(10)11-4-3-5-14-13(11)8-17(2)16-14/h3-5,8,10,12H,6-7H2,1-2H3,(H,15,18)/t10-,12+/m1/s1
InChIKeyRLEPKOHOJLKWNK-PWSUYJOCSA-N
XLogP1.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(7-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]acetamide
CID 25117200
[2-(2-methylindazol-4-yl)cyclopropyl]methanamine
CID 59334507
[(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methanamine;dihydrochloride
CID 66720584
N-[(2-phenylcyclopropyl)methyl]acetamide
CID 70274109
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide
CID 70274106
tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate
CID 59334622
3-methyl-N-[[(1R,2R)-2-(2-propan-2-yl-1,3-benzoxazol-7-yl)cyclopropyl]methyl]butanamide
CID 10448368
N-[[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methyl]ethanamine
CID 83094583
[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methanamine
CID 83094405
N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylindazole-4-carboxamide
CID 138670671
2,4-dimethylindazole;ethane
CID 90974355
2-methylindazol-4-amine
CID 15413170

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methyl]acetamide?
The IUPAC name of N-[[(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methyl]acetamide (CID 59334474) is N-[[(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for N-[[(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methyl]acetamide?
The canonical SMILES for N-[[(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methyl]acetamide is CC(=O)NC[C@H]1C[C@@H]1c1cccc2nn(C)cc12.
What is the InChIKey of N-[[(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methyl]acetamide?
The InChIKey is RLEPKOHOJLKWNK-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9(18)15-7-10-6-12(10)11-4-3-5-14-13(11)8-17(2)16-14/h3-5,8,10,12H,6-7H2,1-2H3,(H,15,18)/t10-,12+/m1/s1.
What are the key properties of N-[[(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methyl]acetamide?
N-[[(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methyl]acetamide has a molecular weight of 243.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 59334474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).