N-(3-bromo-4-methylphenyl)-1-tert-butyl-3-cyclopropylpyrazole-5-carboxamide

C18H22BrN3O — CID 55738642

IUPACN-(3-bromo-4-methylphenyl)-1-tert-butyl-3-cyclopropylpyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C3CC3)nn2C(C)(C)C)cc1Br
InChIInChI=1S/C18H22BrN3O/c1-11-5-8-13(9-14(11)19)20-17(23)16-10-15(12-6-7-12)21-22(16)18(2,3)4/h5,8-10,12H,6-7H2,1-4H3,(H,20,23)
InChIKeyPHXKBRUCZAWUBN-UHFFFAOYSA-N
MW376.30 g/mol
LogP4.84
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-1-tert-butyl-3-cyclopropylpyrazole-5-carboxamide

N-(3-bromo-4-methylphenyl)-1-tert-butyl-3-cyclopropylpyrazole-5-carboxamide (PubChem CID 55738642) has the molecular formula C18H22BrN3O and a molecular weight of 376.30 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-1-tert-butyl-3-cyclopropylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-1-tert-butyl-3-cyclopropylpyrazole-5-carboxamide
PubChem CID55738642
Molecular FormulaC18H22BrN3O
Molecular Weight376.30 g/mol
Exact Mass375.09
IUPAC NameN-(3-bromo-4-methylphenyl)-1-tert-butyl-3-cyclopropylpyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C3CC3)nn2C(C)(C)C)cc1Br
InChIInChI=1S/C18H22BrN3O/c1-11-5-8-13(9-14(11)19)20-17(23)16-10-15(12-6-7-12)21-22(16)18(2,3)4/h5,8-10,12H,6-7H2,1-4H3,(H,20,23)
InChIKeyPHXKBRUCZAWUBN-UHFFFAOYSA-N
XLogP4.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-cyclopropylpyrazole-5-carboxamide
CID 55755173
1-tert-butyl-3-cyclopropyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyrazole-5-carboxamide
CID 55790397
1-tert-butyl-3-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 94237843
1-tert-butyl-3-cyclopropyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazole-5-carboxamide
CID 47039503
1-tert-butyl-3-cyclopropyl-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]pyrazole-5-carboxamide
CID 55801763
1-tert-butyl-3-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-5-carboxamide
CID 55758271
1-tert-butyl-3-cyclopropyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrazole-5-carboxamide
CID 47041497
1-tert-butyl-3-cyclopropyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrazole-5-carboxamide
CID 55739359
N-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120808
1-tert-butyl-3-cyclopropyl-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazole-5-carboxamide
CID 95138621
1-tert-butyl-3-cyclopropyl-N-[2-(N-ethyl-3-methylanilino)ethyl]pyrazole-5-carboxamide
CID 47039077
1-tert-butyl-3-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazole-5-carboxamide
CID 55908630

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-1-tert-butyl-3-cyclopropylpyrazole-5-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-1-tert-butyl-3-cyclopropylpyrazole-5-carboxamide (CID 55738642) is N-(3-bromo-4-methylphenyl)-1-tert-butyl-3-cyclopropylpyrazole-5-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-1-tert-butyl-3-cyclopropylpyrazole-5-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-1-tert-butyl-3-cyclopropylpyrazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(C3CC3)nn2C(C)(C)C)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-1-tert-butyl-3-cyclopropylpyrazole-5-carboxamide?
The InChIKey is PHXKBRUCZAWUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O/c1-11-5-8-13(9-14(11)19)20-17(23)16-10-15(12-6-7-12)21-22(16)18(2,3)4/h5,8-10,12H,6-7H2,1-4H3,(H,20,23).
What are the key properties of N-(3-bromo-4-methylphenyl)-1-tert-butyl-3-cyclopropylpyrazole-5-carboxamide?
N-(3-bromo-4-methylphenyl)-1-tert-butyl-3-cyclopropylpyrazole-5-carboxamide has a molecular weight of 376.30 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-1-tert-butyl-3-cyclopropylpyrazole-5-carboxamide is sourced from PubChem (CID 55738642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).