N-(4-bromo-2-methylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide

C21H16BrN3O — CID 51046417

IUPACN-(4-bromo-2-methylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C21H16BrN3O/c1-13-11-15(22)9-10-18(13)23-21(26)20-12-19(24-25-20)17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyJSOGKHCTBAHMMA-UHFFFAOYSA-N
MW406.28 g/mol
LogP5.55
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide

N-(4-bromo-2-methylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide (PubChem CID 51046417) has the molecular formula C21H16BrN3O and a molecular weight of 406.28 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
PubChem CID51046417
Molecular FormulaC21H16BrN3O
Molecular Weight406.28 g/mol
Exact Mass405.05
IUPAC NameN-(4-bromo-2-methylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C21H16BrN3O/c1-13-11-15(22)9-10-18(13)23-21(26)20-12-19(24-25-20)17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyJSOGKHCTBAHMMA-UHFFFAOYSA-N
XLogP5.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.28
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046359
N-(4-bromo-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 110676567
ethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate
CID 51046380
N-(2,5-dichlorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046396
N-(4-bromo-2-methylphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920344
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 135437789
N-(4-bromo-2-methylphenyl)-2-naphthalen-1-yloxyacetamide
CID 1325558
3-naphthalen-1-yl-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 51046351
N-(4-methylsulfonylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046431
N-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046391
7-amino-N-(4-bromo-2-methylphenyl)-1H-indole-2-carboxamide
CID 63117458
5-bromo-N-(4-bromo-2-methylphenyl)naphthalene-1-carboxamide
CID 3475796

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide (CID 51046417) is N-(4-bromo-2-methylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide is Cc1cc(Br)ccc1NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The InChIKey is JSOGKHCTBAHMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN3O/c1-13-11-15(22)9-10-18(13)23-21(26)20-12-19(24-25-20)17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3,(H,23,26)(H,24,25).
What are the key properties of N-(4-bromo-2-methylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
N-(4-bromo-2-methylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide has a molecular weight of 406.28 g/mol, XLogP of 5.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 51046417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).