N-benzyl-4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxamide

C18H14BrClN4O2 — CID 11339494

IUPACN-benzyl-4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1n[nH]c(C(=O)NCc2ccccc2)c1Br)c1ccccc1Cl
InChIInChI=1S/C18H14BrClN4O2/c19-14-15(18(26)21-10-11-6-2-1-3-7-11)23-24-16(14)22-17(25)12-8-4-5-9-13(12)20/h1-9H,10H2,(H,21,26)(H2,22,23,24,25)
InChIKeyRSFUIAXWEQQOML-UHFFFAOYSA-N
MW433.69 g/mol
LogP4.01
Rot. Bonds5

About N-benzyl-4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxamide

N-benzyl-4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 11339494) has the molecular formula C18H14BrClN4O2 and a molecular weight of 433.69 g/mol. Its IUPAC name is N-benzyl-4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID11339494
Molecular FormulaC18H14BrClN4O2
Molecular Weight433.69 g/mol
Exact Mass432.00
IUPAC NameN-benzyl-4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1n[nH]c(C(=O)NCc2ccccc2)c1Br)c1ccccc1Cl
InChIInChI=1S/C18H14BrClN4O2/c19-14-15(18(26)21-10-11-6-2-1-3-7-11)23-24-16(14)22-17(25)12-8-4-5-9-13(12)20/h1-9H,10H2,(H,21,26)(H2,22,23,24,25)
InChIKeyRSFUIAXWEQQOML-UHFFFAOYSA-N
XLogP4.01
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.69
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-[(2-chlorobenzoyl)amino]-N-isoquinolin-1-yl-1H-pyrazole-5-carboxamide
CID 11328902
4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 59773614
4-bromo-3-[(2-chlorobenzoyl)amino]-N-(1-hydroxy-3-methylbutan-2-yl)-1H-pyrazole-5-carboxamide
CID 11293323
4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(2R)-1-(dimethylamino)-1-oxobutan-2-yl]-1H-pyrazole-5-carboxamide
CID 11259614
4-bromo-3-[(2-chlorobenzoyl)amino]-N-[2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 91298386
4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(1R)-1-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 59773566
4-bromo-3-[(2-chlorobenzoyl)amino]-N-[1-[cyclopropyl(methyl)amino]propan-2-yl]-1H-pyrazole-5-carboxamide
CID 11385508
4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]-1H-pyrazole-5-carboxamide
CID 59773485
4-bromo-3-[(2-chlorobenzoyl)amino]-N-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenyl]-1H-pyrazole-5-carboxamide;ethane
CID 142965903
4-bromo-3-[(2-chlorobenzoyl)amino]-N-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethyl]phenyl]-1H-pyrazole-5-carboxamide
CID 11214713
4-bromo-3-[(2-chlorobenzoyl)amino]-N-[1-(cyclopropylmethyl)-2-oxoazepan-3-yl]-1H-pyrazole-5-carboxamide
CID 91420104
4-bromo-3-[(2-chlorobenzoyl)amino]-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-1H-pyrazole-5-carboxamide
CID 59773375

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxamide (CID 11339494) is N-benzyl-4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxamide is O=C(Nc1n[nH]c(C(=O)NCc2ccccc2)c1Br)c1ccccc1Cl.
What is the InChIKey of N-benzyl-4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is RSFUIAXWEQQOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN4O2/c19-14-15(18(26)21-10-11-6-2-1-3-7-11)23-24-16(14)22-17(25)12-8-4-5-9-13(12)20/h1-9H,10H2,(H,21,26)(H2,22,23,24,25).
What are the key properties of N-benzyl-4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
N-benzyl-4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 433.69 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 11339494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).