N-(4-bromo-1-tert-butyl-3-methylpyrazol-5-yl)-4-chlorobenzamide

C15H17BrClN3O — CID 2818812

IUPACN-(4-bromo-1-tert-butyl-3-methylpyrazol-5-yl)-4-chlorobenzamide
SMILESCc1nn(C(C)(C)C)c(NC(=O)c2ccc(Cl)cc2)c1Br
InChIInChI=1S/C15H17BrClN3O/c1-9-12(16)13(20(19-9)15(2,3)4)18-14(21)10-5-7-11(17)8-6-10/h5-8H,1-4H3,(H,18,21)
InChIKeyUGENKEJPMBRLOV-UHFFFAOYSA-N
MW370.68 g/mol
LogP4.61
Rot. Bonds2

About N-(4-bromo-1-tert-butyl-3-methylpyrazol-5-yl)-4-chlorobenzamide

N-(4-bromo-1-tert-butyl-3-methylpyrazol-5-yl)-4-chlorobenzamide (PubChem CID 2818812) has the molecular formula C15H17BrClN3O and a molecular weight of 370.68 g/mol. Its IUPAC name is N-(4-bromo-1-tert-butyl-3-methylpyrazol-5-yl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-1-tert-butyl-3-methylpyrazol-5-yl)-4-chlorobenzamide
PubChem CID2818812
Molecular FormulaC15H17BrClN3O
Molecular Weight370.68 g/mol
Exact Mass369.02
IUPAC NameN-(4-bromo-1-tert-butyl-3-methylpyrazol-5-yl)-4-chlorobenzamide
SMILESCc1nn(C(C)(C)C)c(NC(=O)c2ccc(Cl)cc2)c1Br
InChIInChI=1S/C15H17BrClN3O/c1-9-12(16)13(20(19-9)15(2,3)4)18-14(21)10-5-7-11(17)8-6-10/h5-8H,1-4H3,(H,18,21)
InChIKeyUGENKEJPMBRLOV-UHFFFAOYSA-N
XLogP4.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.68
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5330974
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CID 2818783
N1-[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]-2-fluorobenzamide
CID 2818808
3-chloro-N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135753078
4-chloro-N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135753079
2,4-dichloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
CID 5121984
4-Chloro-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide
CID 342596
(4-Bromo-3,5-dimethylpyrazol-1-yl)-(4-chlorophenyl)methanone
CID 674646
(4-Chloro-phenyl)-(3-methyl-5-phenylamino-pyrazol-1-yl)-methanone
CID 811890
N-[4-[(4-bromoanilino)-(diethylamino)phosphoryl]-1-(2-cyanoethyl)-3-methylpyrazol-5-yl]-4-chlorobenzamide
CID 2316385
N-(4-bromo-1,3-dimethylpyrazol-5-yl)-2,4-dichlorobenzamide
CID 2818776
4-chloro-N-(1-cyclohexyl-3-phenyl-1H-pyrazol-5-yl)benzamide
CID 42601146

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1-tert-butyl-3-methylpyrazol-5-yl)-4-chlorobenzamide?
The IUPAC name of N-(4-bromo-1-tert-butyl-3-methylpyrazol-5-yl)-4-chlorobenzamide (CID 2818812) is N-(4-bromo-1-tert-butyl-3-methylpyrazol-5-yl)-4-chlorobenzamide.
What is the SMILES notation for N-(4-bromo-1-tert-butyl-3-methylpyrazol-5-yl)-4-chlorobenzamide?
The canonical SMILES for N-(4-bromo-1-tert-butyl-3-methylpyrazol-5-yl)-4-chlorobenzamide is Cc1nn(C(C)(C)C)c(NC(=O)c2ccc(Cl)cc2)c1Br.
What is the InChIKey of N-(4-bromo-1-tert-butyl-3-methylpyrazol-5-yl)-4-chlorobenzamide?
The InChIKey is UGENKEJPMBRLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3O/c1-9-12(16)13(20(19-9)15(2,3)4)18-14(21)10-5-7-11(17)8-6-10/h5-8H,1-4H3,(H,18,21).
What are the key properties of N-(4-bromo-1-tert-butyl-3-methylpyrazol-5-yl)-4-chlorobenzamide?
N-(4-bromo-1-tert-butyl-3-methylpyrazol-5-yl)-4-chlorobenzamide has a molecular weight of 370.68 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1-tert-butyl-3-methylpyrazol-5-yl)-4-chlorobenzamide is sourced from PubChem (CID 2818812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).