N-(2-chloroethyl)-1-methylindazole-3-carboxamide

C11H12ClN3O — CID 103119713

IUPACN-(2-chloroethyl)-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NCCCl)c2ccccc21
InChIInChI=1S/C11H12ClN3O/c1-15-9-5-3-2-4-8(9)10(14-15)11(16)13-7-6-12/h2-5H,6-7H2,1H3,(H,13,16)
InChIKeySWGNRDJXJUWIAW-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.54
Rot. Bonds3

About N-(2-chloroethyl)-1-methylindazole-3-carboxamide

N-(2-chloroethyl)-1-methylindazole-3-carboxamide (PubChem CID 103119713) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is N-(2-chloroethyl)-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-1-methylindazole-3-carboxamide
PubChem CID103119713
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC NameN-(2-chloroethyl)-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NCCCl)c2ccccc21
InChIInChI=1S/C11H12ClN3O/c1-15-9-5-3-2-4-8(9)10(14-15)11(16)13-7-6-12/h2-5H,6-7H2,1H3,(H,13,16)
InChIKeySWGNRDJXJUWIAW-UHFFFAOYSA-N
XLogP1.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
N-(3-bromopropyl)-1-methylindazole-3-carboxamide
CID 103119709
methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121172
N-(3-chloro-2,2-dimethylpropyl)-1-methylindazole-3-carboxamide
CID 103122780
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid
CID 103116333
1-methyl-N-pent-4-ynylindazole-3-carboxamide
CID 106223254
2-methyl-4-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103117045
N-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide
CID 103121080
N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822183
1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide
CID 54486483
N-(4-azidobutyl)-1-methylindazole-3-carboxamide
CID 106386463

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-1-methylindazole-3-carboxamide?
The IUPAC name of N-(2-chloroethyl)-1-methylindazole-3-carboxamide (CID 103119713) is N-(2-chloroethyl)-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-1-methylindazole-3-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-1-methylindazole-3-carboxamide is Cn1nc(C(=O)NCCCl)c2ccccc21.
What is the InChIKey of N-(2-chloroethyl)-1-methylindazole-3-carboxamide?
The InChIKey is SWGNRDJXJUWIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-15-9-5-3-2-4-8(9)10(14-15)11(16)13-7-6-12/h2-5H,6-7H2,1H3,(H,13,16).
What are the key properties of N-(2-chloroethyl)-1-methylindazole-3-carboxamide?
N-(2-chloroethyl)-1-methylindazole-3-carboxamide has a molecular weight of 237.69 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-1-methylindazole-3-carboxamide is sourced from PubChem (CID 103119713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).