(2S)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide

C14H18ClN3O2 — CID 126434222

IUPAC(2S)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide
SMILESCCO[C@@H](C)C(=O)NCc1nn(C)c2cccc(Cl)c12
InChIInChI=1S/C14H18ClN3O2/c1-4-20-9(2)14(19)16-8-11-13-10(15)6-5-7-12(13)18(3)17-11/h5-7,9H,4,8H2,1-3H3,(H,16,19)/t9-/m0/s1
InChIKeyUHZUJYPNGDZGEB-VIFPVBQESA-N
MW295.77 g/mol
LogP2.27
Rot. Bonds5

About (2S)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide

(2S)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide (PubChem CID 126434222) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is (2S)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide
PubChem CID126434222
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name(2S)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide
SMILESCCO[C@@H](C)C(=O)NCc1nn(C)c2cccc(Cl)c12
InChIInChI=1S/C14H18ClN3O2/c1-4-20-9(2)14(19)16-8-11-13-10(15)6-5-7-12(13)18(3)17-11/h5-7,9H,4,8H2,1-3H3,(H,16,19)/t9-/m0/s1
InChIKeyUHZUJYPNGDZGEB-VIFPVBQESA-N
XLogP2.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide
CID 119064447
N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethylsulfonylpropanamide
CID 118795940
(2R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125444868
(2R,5R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenylpyrrolidine-2-carboxamide
CID 155498138
N-[(4-chloro-1-methylindazol-3-yl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97206639
N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 122571121
(3R,4S)-1-[(4-chloro-1-methylindazol-3-yl)methyl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid
CID 163314460
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethoxypropanamide
CID 94797015
3-ethoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-one
CID 116708638
1-(4-chloro-1-methylindazol-3-yl)ethanamine
CID 112716436
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethoxypropanamide
CID 119059423
N-(4-chloro-1-methylindazol-3-yl)-2-(methylamino)acetamide
CID 123892807

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide?
The IUPAC name of (2S)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide (CID 126434222) is (2S)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide.
What is the SMILES notation for (2S)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide?
The canonical SMILES for (2S)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide is CCO[C@@H](C)C(=O)NCc1nn(C)c2cccc(Cl)c12.
What is the InChIKey of (2S)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide?
The InChIKey is UHZUJYPNGDZGEB-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-4-20-9(2)14(19)16-8-11-13-10(15)6-5-7-12(13)18(3)17-11/h5-7,9H,4,8H2,1-3H3,(H,16,19)/t9-/m0/s1.
What are the key properties of (2S)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide?
(2S)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide has a molecular weight of 295.77 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide is sourced from PubChem (CID 126434222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).