N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide

C16H14BrN3O — CID 43003333

IUPACN-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C16H14BrN3O/c1-20(10-11-6-8-12(17)9-7-11)16(21)15-13-4-2-3-5-14(13)18-19-15/h2-9H,10H2,1H3,(H,18,19)
InChIKeyIPOAAJCBJNYWRN-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.60
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide

N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide (PubChem CID 43003333) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
PubChem CID43003333
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C16H14BrN3O/c1-20(10-11-6-8-12(17)9-7-11)16(21)15-13-4-2-3-5-14(13)18-19-15/h2-9H,10H2,1H3,(H,18,19)
InChIKeyIPOAAJCBJNYWRN-UHFFFAOYSA-N
XLogP3.60
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 51162817
N-[(4-bromophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 18111460
N-[2-(4-bromophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide
CID 4787427
N-[(2-chlorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 7537965
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 27856730
4-amino-N-[(4-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076563
3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 55008009
N-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide
CID 60655163
N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide
CID 63932230
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 18112218
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1H-indazole-3-carboxamide
CID 78867975
N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide
CID 27788102

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide (CID 43003333) is N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide is CN(Cc1ccc(Br)cc1)C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is IPOAAJCBJNYWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-20(10-11-6-8-12(17)9-7-11)16(21)15-13-4-2-3-5-14(13)18-19-15/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide?
N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 344.21 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 43003333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).