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

C14H18ClN3O2 — CID 119064447

IUPACN-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide
SMILESCCOC(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)
InChIKeyUHZUJYPNGDZGEB-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.27
Rot. Bonds5

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

N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide (PubChem CID 119064447) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide.

Molecular Properties

Compound NameN-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide
PubChem CID119064447
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide
SMILESCCOC(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)
InChIKeyUHZUJYPNGDZGEB-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide?
The IUPAC name of N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide (CID 119064447) is N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide.
What is the SMILES notation for N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide?
The canonical SMILES for N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide is CCOC(C)C(=O)NCc1nn(C)c2cccc(Cl)c12.
What is the InChIKey of N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide?
The InChIKey is UHZUJYPNGDZGEB-UHFFFAOYSA-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).
What are the key properties of N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide?
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 N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide is sourced from PubChem (CID 119064447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).