N-(5-bromonaphthalen-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C16H14BrN3O — CID 146021959

IUPACN-(5-bromonaphthalen-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1ccc2c(Br)cccc2c1
InChIInChI=1S/C16H14BrN3O/c1-9-15(10(2)20-19-9)16(21)18-12-6-7-13-11(8-12)4-3-5-14(13)17/h3-8H,1-2H3,(H,18,21)(H,19,20)
InChIKeyLEDRFFPLCLFKHK-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.19
Rot. Bonds2

About N-(5-bromonaphthalen-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(5-bromonaphthalen-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 146021959) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is N-(5-bromonaphthalen-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromonaphthalen-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID146021959
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC NameN-(5-bromonaphthalen-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1ccc2c(Br)cccc2c1
InChIInChI=1S/C16H14BrN3O/c1-9-15(10(2)20-19-9)16(21)18-12-6-7-13-11(8-12)4-3-5-14(13)17/h3-8H,1-2H3,(H,18,21)(H,19,20)
InChIKeyLEDRFFPLCLFKHK-UHFFFAOYSA-N
XLogP4.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582476
N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582601
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]benzoic acid
CID 43583203
N-(5-bromonaphthalen-2-yl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 146022021
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582479
N-(4-acetamido-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61274560
1-(5-bromonaphthalen-2-yl)-3-methylurea
CID 146021922
N-(2-bromo-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 82766572
N-(5-bromo-2-iodophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113366812
N-(2,3-dihydro-1H-indol-5-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 63253113
N-(3,5-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582492
N-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61259853

Frequently Asked Questions

What is the IUPAC name of N-(5-bromonaphthalen-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(5-bromonaphthalen-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 146021959) is N-(5-bromonaphthalen-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-bromonaphthalen-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(5-bromonaphthalen-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)Nc1ccc2c(Br)cccc2c1.
What is the InChIKey of N-(5-bromonaphthalen-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is LEDRFFPLCLFKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-9-15(10(2)20-19-9)16(21)18-12-6-7-13-11(8-12)4-3-5-14(13)17/h3-8H,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-(5-bromonaphthalen-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(5-bromonaphthalen-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 344.21 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromonaphthalen-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 146021959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).