N-(4-bromo-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxamide

C12H12BrN3O2 — CID 167908208

IUPACN-(4-bromo-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)c1ccn[nH]1
InChIInChI=1S/C12H12BrN3O2/c1-7-5-8(13)6-10(18-2)11(7)15-12(17)9-3-4-14-16-9/h3-6H,1-2H3,(H,14,16)(H,15,17)
InChIKeyYIYMMGDYCSBVIA-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.74
Rot. Bonds3

About N-(4-bromo-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxamide

N-(4-bromo-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 167908208) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is N-(4-bromo-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID167908208
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC NameN-(4-bromo-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)c1ccn[nH]1
InChIInChI=1S/C12H12BrN3O2/c1-7-5-8(13)6-10(18-2)11(7)15-12(17)9-3-4-14-16-9/h3-6H,1-2H3,(H,14,16)(H,15,17)
InChIKeyYIYMMGDYCSBVIA-UHFFFAOYSA-N
XLogP2.74
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)pyridine-2-carboxamide
CID 62954905
N-(4-bromo-2-methoxy-6-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81227978
N-(4-bromo-2-methoxy-6-methylphenyl)-3,6-dichloropyridine-2-carboxamide
CID 60811575
4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide
CID 81295554
4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide
CID 80536467
4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 60934499
3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide
CID 106545841
3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide
CID 60928593
(2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide
CID 61147133
2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-fluorobenzamide
CID 81499961
3-amino-N-(4-bromo-2,6-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 64523433
N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79737466

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-bromo-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxamide (CID 167908208) is N-(4-bromo-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-bromo-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxamide is COc1cc(Br)cc(C)c1NC(=O)c1ccn[nH]1.
What is the InChIKey of N-(4-bromo-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is YIYMMGDYCSBVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-7-5-8(13)6-10(18-2)11(7)15-12(17)9-3-4-14-16-9/h3-6H,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(4-bromo-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxamide?
N-(4-bromo-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 310.15 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 167908208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).