N-methyl-3-(2-methylpropyl)-2H-indazole-5-carboxamide

C13H17N3O — CID 127030505

IUPACN-methyl-3-(2-methylpropyl)-2H-indazole-5-carboxamide
SMILESCNC(=O)c1ccc2n[nH]c(CC(C)C)c2c1
InChIInChI=1S/C13H17N3O/c1-8(2)6-12-10-7-9(13(17)14-3)4-5-11(10)15-16-12/h4-5,7-8H,6H2,1-3H3,(H,14,17)(H,15,16)
InChIKeySCCHIXXWAYEQDD-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.12
Rot. Bonds3

About N-methyl-3-(2-methylpropyl)-2H-indazole-5-carboxamide

N-methyl-3-(2-methylpropyl)-2H-indazole-5-carboxamide (PubChem CID 127030505) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-methyl-3-(2-methylpropyl)-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(2-methylpropyl)-2H-indazole-5-carboxamide
PubChem CID127030505
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-methyl-3-(2-methylpropyl)-2H-indazole-5-carboxamide
SMILESCNC(=O)c1ccc2n[nH]c(CC(C)C)c2c1
InChIInChI=1S/C13H17N3O/c1-8(2)6-12-10-7-9(13(17)14-3)4-5-11(10)15-16-12/h4-5,7-8H,6H2,1-3H3,(H,14,17)(H,15,16)
InChIKeySCCHIXXWAYEQDD-UHFFFAOYSA-N
XLogP2.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylpropyl)-2H-indazole-5-carboxamide?
The IUPAC name of N-methyl-3-(2-methylpropyl)-2H-indazole-5-carboxamide (CID 127030505) is N-methyl-3-(2-methylpropyl)-2H-indazole-5-carboxamide.
What is the SMILES notation for N-methyl-3-(2-methylpropyl)-2H-indazole-5-carboxamide?
The canonical SMILES for N-methyl-3-(2-methylpropyl)-2H-indazole-5-carboxamide is CNC(=O)c1ccc2n[nH]c(CC(C)C)c2c1.
What is the InChIKey of N-methyl-3-(2-methylpropyl)-2H-indazole-5-carboxamide?
The InChIKey is SCCHIXXWAYEQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8(2)6-12-10-7-9(13(17)14-3)4-5-11(10)15-16-12/h4-5,7-8H,6H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of N-methyl-3-(2-methylpropyl)-2H-indazole-5-carboxamide?
N-methyl-3-(2-methylpropyl)-2H-indazole-5-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylpropyl)-2H-indazole-5-carboxamide is sourced from PubChem (CID 127030505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).