2-(4-chloroindazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide

C13H17ClN4O — CID 6625503

IUPAC2-(4-chloroindazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)Cn1ncc2c(Cl)cccc21
InChIInChI=1S/C13H17ClN4O/c1-17(2)7-6-15-13(19)9-18-12-5-3-4-11(14)10(12)8-16-18/h3-5,8H,6-7,9H2,1-2H3,(H,15,19)
InChIKeyDQSZZYDJZUIVSS-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.37
Rot. Bonds5

About 2-(4-chloroindazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide

2-(4-chloroindazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 6625503) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 2-(4-chloroindazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloroindazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID6625503
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name2-(4-chloroindazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)Cn1ncc2c(Cl)cccc21
InChIInChI=1S/C13H17ClN4O/c1-17(2)7-6-15-13(19)9-18-12-5-3-4-11(14)10(12)8-16-18/h3-5,8H,6-7,9H2,1-2H3,(H,15,19)
InChIKeyDQSZZYDJZUIVSS-UHFFFAOYSA-N
XLogP1.37
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloroindazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 22510045
2-(4-chloroindazol-1-yl)-N-cyclopentylacetamide
CID 22510062
2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 10377301
2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 19520643
2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485568
N-[3-(4-chloroindazol-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 56731656
N-[3-(4-chloroindazol-1-yl)propyl]cyclopentanecarboxamide
CID 56731683
2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide
CID 124684501
3-(2,6-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113146588
N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide
CID 20885235
N-[2-(dimethylamino)ethyl]carbazole-9-carboxamide
CID 3027990
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-methylindazol-1-yl)propanamide
CID 95744356

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroindazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-(4-chloroindazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide (CID 6625503) is 2-(4-chloroindazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(4-chloroindazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-(4-chloroindazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCNC(=O)Cn1ncc2c(Cl)cccc21.
What is the InChIKey of 2-(4-chloroindazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is DQSZZYDJZUIVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-17(2)7-6-15-13(19)9-18-12-5-3-4-11(14)10(12)8-16-18/h3-5,8H,6-7,9H2,1-2H3,(H,15,19).
What are the key properties of 2-(4-chloroindazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide?
2-(4-chloroindazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 280.76 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroindazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 6625503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).