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

C12H14ClN3O — CID 103122559

IUPACN-(2-chloropropyl)-1-methylindazole-3-carboxamide
SMILESCC(Cl)CNC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C12H14ClN3O/c1-8(13)7-14-12(17)11-9-5-3-4-6-10(9)16(2)15-11/h3-6,8H,7H2,1-2H3,(H,14,17)
InChIKeyMJALMNLJMSCMIH-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.93
Rot. Bonds3

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

N-(2-chloropropyl)-1-methylindazole-3-carboxamide (PubChem CID 103122559) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is N-(2-chloropropyl)-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-1-methylindazole-3-carboxamide
PubChem CID103122559
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC NameN-(2-chloropropyl)-1-methylindazole-3-carboxamide
SMILESCC(Cl)CNC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C12H14ClN3O/c1-8(13)7-14-12(17)11-9-5-3-4-6-10(9)16(2)15-11/h3-6,8H,7H2,1-2H3,(H,14,17)
InChIKeyMJALMNLJMSCMIH-UHFFFAOYSA-N
XLogP1.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.93
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

3-methyl-2-[[(1-methylindazole-3-carbonyl)amino]methyl]butanoic acid
CID 103116907
N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713
N-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide
CID 103121080
N-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 103120182
2-methyl-4-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103117045
3-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116476
N-(3-chloro-2,2-dimethylpropyl)-1-methylindazole-3-carboxamide
CID 103122780
N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822183
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-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-1-methylindazole-3-carboxamide?
The IUPAC name of N-(2-chloropropyl)-1-methylindazole-3-carboxamide (CID 103122559) is N-(2-chloropropyl)-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-(2-chloropropyl)-1-methylindazole-3-carboxamide?
The canonical SMILES for N-(2-chloropropyl)-1-methylindazole-3-carboxamide is CC(Cl)CNC(=O)c1nn(C)c2ccccc12.
What is the InChIKey of N-(2-chloropropyl)-1-methylindazole-3-carboxamide?
The InChIKey is MJALMNLJMSCMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-8(13)7-14-12(17)11-9-5-3-4-6-10(9)16(2)15-11/h3-6,8H,7H2,1-2H3,(H,14,17).
What are the key properties of N-(2-chloropropyl)-1-methylindazole-3-carboxamide?
N-(2-chloropropyl)-1-methylindazole-3-carboxamide has a molecular weight of 251.72 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-1-methylindazole-3-carboxamide is sourced from PubChem (CID 103122559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).