N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C13H14BrN3O — CID 43582476

IUPACN-(4-bromo-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2c(C)n[nH]c2C)ccc1Br
InChIInChI=1S/C13H14BrN3O/c1-7-6-10(4-5-11(7)14)15-13(18)12-8(2)16-17-9(12)3/h4-6H,1-3H3,(H,15,18)(H,16,17)
InChIKeyCKAZJQRKOWKBSC-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.35
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 43582476) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID43582476
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC NameN-(4-bromo-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2c(C)n[nH]c2C)ccc1Br
InChIInChI=1S/C13H14BrN3O/c1-7-6-10(4-5-11(7)14)15-13(18)12-8(2)16-17-9(12)3/h4-6H,1-3H3,(H,15,18)(H,16,17)
InChIKeyCKAZJQRKOWKBSC-UHFFFAOYSA-N
XLogP3.35
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamido-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61274560
N-(5-bromonaphthalen-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 146021959
N-(2-bromo-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 82766572
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582479
N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 20950809
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-(2,3-dihydro-1H-indol-5-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 63253113
N-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61259853
N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide
CID 2526988
N-(4-bromo-3-methylphenyl)-2,6-dichlorobenzamide
CID 3367172
N-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582482

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 43582476) is N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1cc(NC(=O)c2c(C)n[nH]c2C)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is CKAZJQRKOWKBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-7-6-10(4-5-11(7)14)15-13(18)12-8(2)16-17-9(12)3/h4-6H,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 308.18 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).