N-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide

C12H12N4O — CID 60655163

IUPACN-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide
SMILESCN(CCC#N)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C12H12N4O/c1-16(8-4-7-13)12(17)11-9-5-2-3-6-10(9)14-15-11/h2-3,5-6H,4,8H2,1H3,(H,14,15)
InChIKeyDFYNLHDQIFVNIB-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.55
Rot. Bonds3

About N-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide

N-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide (PubChem CID 60655163) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide
PubChem CID60655163
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC NameN-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide
SMILESCN(CCC#N)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C12H12N4O/c1-16(8-4-7-13)12(17)11-9-5-2-3-6-10(9)14-15-11/h2-3,5-6H,4,8H2,1H3,(H,14,15)
InChIKeyDFYNLHDQIFVNIB-UHFFFAOYSA-N
XLogP1.55
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-1H-indazole-3-carboxamide
CID 81484244
N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-3-carboxamide
CID 63239690
N-methyl-N-(2-piperazin-1-ylethyl)-1H-indazole-3-carboxamide
CID 63265749
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide
CID 18119662
N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide
CID 63932230
N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 51162817
3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 55008009
N-[2-(4-bromophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide
CID 4787427
N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 43003333
N-methyl-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
CID 64982701
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-indazole-3-carboxamide
CID 26826397
ethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide
CID 142077122

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide (CID 60655163) is N-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide is CN(CCC#N)C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is DFYNLHDQIFVNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-16(8-4-7-13)12(17)11-9-5-2-3-6-10(9)14-15-11/h2-3,5-6H,4,8H2,1H3,(H,14,15).
What are the key properties of N-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide?
N-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 60655163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).