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

C18H21BrClN5O2 — CID 59773614

IUPAC4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCN1CCC(CNC(=O)c2[nH]nc(NC(=O)c3ccccc3Cl)c2Br)CC1
InChIInChI=1S/C18H21BrClN5O2/c1-25-8-6-11(7-9-25)10-21-18(27)15-14(19)16(24-23-15)22-17(26)12-4-2-3-5-13(12)20/h2-5,11H,6-10H2,1H3,(H,21,27)(H2,22,23,24,26)
InChIKeyNMEJJYLFVTWUSV-UHFFFAOYSA-N
MW454.76 g/mol
LogP3.15
Rot. Bonds5

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

4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 59773614) has the molecular formula C18H21BrClN5O2 and a molecular weight of 454.76 g/mol. Its IUPAC name is 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID59773614
Molecular FormulaC18H21BrClN5O2
Molecular Weight454.76 g/mol
Exact Mass453.06
IUPAC Name4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCN1CCC(CNC(=O)c2[nH]nc(NC(=O)c3ccccc3Cl)c2Br)CC1
InChIInChI=1S/C18H21BrClN5O2/c1-25-8-6-11(7-9-25)10-21-18(27)15-14(19)16(24-23-15)22-17(26)12-4-2-3-5-13(12)20/h2-5,11H,6-10H2,1H3,(H,21,27)(H2,22,23,24,26)
InChIKeyNMEJJYLFVTWUSV-UHFFFAOYSA-N
XLogP3.15
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.76
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-3-[(2-chlorobenzoyl)amino]-N-[1-(1-methylpiperidin-4-yl)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 59773493
4-bromo-3-[(2-chlorobenzoyl)amino]-N-[2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 91298386
N-benzyl-4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 11339494
4-bromo-3-[(2-chlorobenzoyl)amino]-N-[1-[cyclopropyl(methyl)amino]propan-2-yl]-1H-pyrazole-5-carboxamide
CID 11385508
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-4-bromo-3-[(2-fluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 90839351
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-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]-1H-pyrazole-5-carboxamide
CID 59773485
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-isoquinolin-1-yl-1H-pyrazole-5-carboxamide
CID 11328902
4-bromo-3-[(2-chlorobenzoyl)amino]-N-(5-methyl-6-oxo-8,9-dihydro-7H-pyrido[3,2-b]azepin-7-yl)-1H-pyrazole-5-carboxamide
CID 59773539
4-bromo-3-[(2-chlorobenzoyl)amino]-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-1H-pyrazole-5-carboxamide
CID 59773375
4-bromo-3-[(2-chlorobenzoyl)amino]-N-(1,5-dimethyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl)-1H-pyrazole-5-carboxamide
CID 59773576

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide (CID 59773614) is 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide is CN1CCC(CNC(=O)c2[nH]nc(NC(=O)c3ccccc3Cl)c2Br)CC1.
What is the InChIKey of 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is NMEJJYLFVTWUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrClN5O2/c1-25-8-6-11(7-9-25)10-21-18(27)15-14(19)16(24-23-15)22-17(26)12-4-2-3-5-13(12)20/h2-5,11H,6-10H2,1H3,(H,21,27)(H2,22,23,24,26).
What are the key properties of 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide?
4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 454.76 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59773614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).