3-methyl-N-(3-methylbutyl)indazole-1-carboxamide

C14H19N3O — CID 53006450

IUPAC3-methyl-N-(3-methylbutyl)indazole-1-carboxamide
SMILESCc1nn(C(=O)NCCC(C)C)c2ccccc12
InChIInChI=1S/C14H19N3O/c1-10(2)8-9-15-14(18)17-13-7-5-4-6-12(13)11(3)16-17/h4-7,10H,8-9H2,1-3H3,(H,15,18)
InChIKeyJWQKYGSLAKUMEF-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.95
Rot. Bonds3

About 3-methyl-N-(3-methylbutyl)indazole-1-carboxamide

3-methyl-N-(3-methylbutyl)indazole-1-carboxamide (PubChem CID 53006450) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-methyl-N-(3-methylbutyl)indazole-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methylbutyl)indazole-1-carboxamide
PubChem CID53006450
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-methyl-N-(3-methylbutyl)indazole-1-carboxamide
SMILESCc1nn(C(=O)NCCC(C)C)c2ccccc12
InChIInChI=1S/C14H19N3O/c1-10(2)8-9-15-14(18)17-13-7-5-4-6-12(13)11(3)16-17/h4-7,10H,8-9H2,1-3H3,(H,15,18)
InChIKeyJWQKYGSLAKUMEF-UHFFFAOYSA-N
XLogP2.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylbutyl)indazole-1-carboxamide?
The IUPAC name of 3-methyl-N-(3-methylbutyl)indazole-1-carboxamide (CID 53006450) is 3-methyl-N-(3-methylbutyl)indazole-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methylbutyl)indazole-1-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methylbutyl)indazole-1-carboxamide is Cc1nn(C(=O)NCCC(C)C)c2ccccc12.
What is the InChIKey of 3-methyl-N-(3-methylbutyl)indazole-1-carboxamide?
The InChIKey is JWQKYGSLAKUMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)8-9-15-14(18)17-13-7-5-4-6-12(13)11(3)16-17/h4-7,10H,8-9H2,1-3H3,(H,15,18).
What are the key properties of 3-methyl-N-(3-methylbutyl)indazole-1-carboxamide?
3-methyl-N-(3-methylbutyl)indazole-1-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylbutyl)indazole-1-carboxamide is sourced from PubChem (CID 53006450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).