(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone

C16H19BrClN5O — CID 56564765

IUPAC(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
SMILESCC(C)c1[nH]nc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)c1Br
InChIInChI=1S/C16H19BrClN5O/c1-10(2)14-13(17)15(21-20-14)16(24)23-7-5-22(6-8-23)12-4-3-11(18)9-19-12/h3-4,9-10H,5-8H2,1-2H3,(H,20,21)
InChIKeyVMYDAMWQZSABKM-UHFFFAOYSA-N
MW412.72 g/mol
LogP3.31
Rot. Bonds3

About (4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone

(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 56564765) has the molecular formula C16H19BrClN5O and a molecular weight of 412.72 g/mol. Its IUPAC name is (4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID56564765
Molecular FormulaC16H19BrClN5O
Molecular Weight412.72 g/mol
Exact Mass411.05
IUPAC Name(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
SMILESCC(C)c1[nH]nc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)c1Br
InChIInChI=1S/C16H19BrClN5O/c1-10(2)14-13(17)15(21-20-14)16(24)23-7-5-22(6-8-23)12-4-3-11(18)9-19-12/h3-4,9-10H,5-8H2,1-2H3,(H,20,21)
InChIKeyVMYDAMWQZSABKM-UHFFFAOYSA-N
XLogP3.31
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.72
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone 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-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 56567186
1-[4-[4-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 56567212
(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56560419
[4-(1-aminoethyl)phenyl]-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 166238468
(3-chloro-6-ethoxy-2-pyridinyl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 155946645
(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid
CID 94781788
5-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 56820279
[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone
CID 46441717
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 56820288
4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide
CID 75464207
2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119848016
(2S)-2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119848044

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone (CID 56564765) is (4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone is CC(C)c1[nH]nc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)c1Br.
What is the InChIKey of (4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is VMYDAMWQZSABKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClN5O/c1-10(2)14-13(17)15(21-20-14)16(24)23-7-5-22(6-8-23)12-4-3-11(18)9-19-12/h3-4,9-10H,5-8H2,1-2H3,(H,20,21).
What are the key properties of (4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone?
(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 412.72 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56564765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).