N-benzyl-N,1-dimethylindazole-3-carboxamide

C17H17N3O — CID 110851100

IUPACN-benzyl-N,1-dimethylindazole-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C17H17N3O/c1-19(12-13-8-4-3-5-9-13)17(21)16-14-10-6-7-11-15(14)20(2)18-16/h3-11H,12H2,1-2H3
InChIKeyLCCHIHQSMSLPKA-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.85
Rot. Bonds3

About N-benzyl-N,1-dimethylindazole-3-carboxamide

N-benzyl-N,1-dimethylindazole-3-carboxamide (PubChem CID 110851100) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-benzyl-N,1-dimethylindazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,1-dimethylindazole-3-carboxamide
PubChem CID110851100
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-benzyl-N,1-dimethylindazole-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C17H17N3O/c1-19(12-13-8-4-3-5-9-13)17(21)16-14-10-6-7-11-15(14)20(2)18-16/h3-11H,12H2,1-2H3
InChIKeyLCCHIHQSMSLPKA-UHFFFAOYSA-N
XLogP2.85
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dimethyl-N-[2-(methylamino)ethyl]indazole-3-carboxamide
CID 103117269
N,1-dimethyl-N-phenylindazole-3-carboxamide
CID 110856917
N,1-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)indazole-3-carboxamide
CID 135104076
N-(2-cyanopropyl)-N,1-dimethylindazole-3-carboxamide
CID 103117767
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,1-dimethylindazole-3-carboxamide
CID 103117931
1-(1-methylindazol-3-yl)-3-phenylpropan-1-one
CID 103123981
2-[(1-methylindazole-3-carbonyl)-propan-2-ylamino]acetic acid
CID 103116549
3-methyl-2-[[(1-methylindazole-3-carbonyl)amino]methyl]butanoic acid
CID 103116907
2-[(1-methylindazole-3-carbonyl)-propylamino]acetic acid
CID 103116595
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylindazole-3-carboxamide
CID 103120277
N-benzyl-3-methyl-4-oxo-N-propan-2-ylphthalazine-1-carboxamide
CID 18143283
1-(1-methylindazol-3-yl)-3-phenylpropane-1,3-dione
CID 103119110

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,1-dimethylindazole-3-carboxamide?
The IUPAC name of N-benzyl-N,1-dimethylindazole-3-carboxamide (CID 110851100) is N-benzyl-N,1-dimethylindazole-3-carboxamide.
What is the SMILES notation for N-benzyl-N,1-dimethylindazole-3-carboxamide?
The canonical SMILES for N-benzyl-N,1-dimethylindazole-3-carboxamide is CN(Cc1ccccc1)C(=O)c1nn(C)c2ccccc12.
What is the InChIKey of N-benzyl-N,1-dimethylindazole-3-carboxamide?
The InChIKey is LCCHIHQSMSLPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-19(12-13-8-4-3-5-9-13)17(21)16-14-10-6-7-11-15(14)20(2)18-16/h3-11H,12H2,1-2H3.
What are the key properties of N-benzyl-N,1-dimethylindazole-3-carboxamide?
N-benzyl-N,1-dimethylindazole-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,1-dimethylindazole-3-carboxamide is sourced from PubChem (CID 110851100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).