4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrazole-5-carboxamide

C19H21BrClN5O3 — CID 11317669

IUPAC4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1[nH]nc(NC(=O)c2ccccc2Cl)c1Br)C(=O)N1CCCCC1
InChIInChI=1S/C19H21BrClN5O3/c1-11(19(29)26-9-5-2-6-10-26)22-18(28)15-14(20)16(25-24-15)23-17(27)12-7-3-4-8-13(12)21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,22,28)(H2,23,24,25,27)/t11-/m1/s1
InChIKeyDTXAXKCQNYGQOY-LLVKDONJSA-N
MW482.77 g/mol
LogP3.21
Rot. Bonds5

About 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrazole-5-carboxamide

4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrazole-5-carboxamide (PubChem CID 11317669) has the molecular formula C19H21BrClN5O3 and a molecular weight of 482.77 g/mol. Its IUPAC name is 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrazole-5-carboxamide
PubChem CID11317669
Molecular FormulaC19H21BrClN5O3
Molecular Weight482.77 g/mol
Exact Mass481.05
IUPAC Name4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1[nH]nc(NC(=O)c2ccccc2Cl)c1Br)C(=O)N1CCCCC1
InChIInChI=1S/C19H21BrClN5O3/c1-11(19(29)26-9-5-2-6-10-26)22-18(28)15-14(20)16(25-24-15)23-17(27)12-7-3-4-8-13(12)21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,22,28)(H2,23,24,25,27)/t11-/m1/s1
InChIKeyDTXAXKCQNYGQOY-LLVKDONJSA-N
XLogP3.21
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.77
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-[(2-chlorobenzoyl)amino]-N-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenyl]-1H-pyrazole-3-carboxamide
CID 11214480
4-bromo-5-[(2-chlorobenzoyl)amino]-N-[2-(1-methyl-4-piperidinyl)ethyl]-1H-pyrazole-3-carboxamide
CID 9804704
4-bromo-5-[(2-chlorobenzoyl)amino]-N-[2-(4-pyridinyl)ethyl]-1H-pyrazole-3-carboxamide
CID 11224694
4-bromo-5-[(2-chlorobenzoyl)amino]-N-[(1R)-1-[(dimethylamino)carbonyl]propyl]-1H-pyrazole-3-carboxamide
CID 11259614
4-chloro-5-[(2-chlorobenzoyl)amino]-N-phenyl-1H-pyrazole-3-carboxamide
CID 11326315
4-bromo-5-[(2-chlorobenzoyl)amino]-N-4-pyridinyl-1H-pyrazole-3-carboxamide
CID 11373520
(S)-alpha-[[[4-bromo-5-[(2-chlorobenzoyl)amino]-1H-pyrazol-3-yl]carbonyl]amino]benzeneacetic acid methyl ester
CID 11375297
4-bromo-5-[(2-chlorobenzoyl)amino]-N-phenyl-1H-pyrazole-3-carboxamide
CID 11452874
rac-4-bromo-5-[(2-chlorobenzoyl)amino]-N-(2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1H-pyrazole-3-carboxamide
CID 11478717
(R)-4-bromo-5-(2-chlorobenzamido)-N-(2-oxoazepan-3-yl)-1H-pyrazole-3-carboxamide
CID 23630509
4-bromo-5-[(2-chlorobenzoyl)amino]-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 23630510
4-bromo-3-[(2-chlorobenzoyl)amino]-1-methyl-N-[2-[1-(4-pyridinyl)-4-piperidinyl]ethyl]-1H-pyrazole-5-carboxamide
CID 23630612

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrazole-5-carboxamide (CID 11317669) is 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrazole-5-carboxamide is C[C@@H](NC(=O)c1[nH]nc(NC(=O)c2ccccc2Cl)c1Br)C(=O)N1CCCCC1.
What is the InChIKey of 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is DTXAXKCQNYGQOY-LLVKDONJSA-N. The full InChI is InChI=1S/C19H21BrClN5O3/c1-11(19(29)26-9-5-2-6-10-26)22-18(28)15-14(20)16(25-24-15)23-17(27)12-7-3-4-8-13(12)21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,22,28)(H2,23,24,25,27)/t11-/m1/s1.
What are the key properties of 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrazole-5-carboxamide?
4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 482.77 g/mol, XLogP of 3.21, 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-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 11317669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).