(4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone

C17H19BrClFN4O — CID 19478906

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESCCn1ncc(Br)c1C(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C17H19BrClFN4O/c1-2-24-16(14(18)10-21-24)17(25)23-7-5-22(6-8-23)11-12-3-4-13(20)9-15(12)19/h3-4,9-10H,2,5-8,11H2,1H3
InChIKeyDGAISQKPZQWHAX-UHFFFAOYSA-N
MW429.72 g/mol
LogP3.42
Rot. Bonds4

About (4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone

(4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19478906) has the molecular formula C17H19BrClFN4O and a molecular weight of 429.72 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19478906
Molecular FormulaC17H19BrClFN4O
Molecular Weight429.72 g/mol
Exact Mass428.04
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESCCn1ncc(Br)c1C(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C17H19BrClFN4O/c1-2-24-16(14(18)10-21-24)17(25)23-7-5-22(6-8-23)11-12-3-4-13(20)9-15(12)19/h3-4,9-10H,2,5-8,11H2,1H3
InChIKeyDGAISQKPZQWHAX-UHFFFAOYSA-N
XLogP3.42
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.72
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-chloro-4-fluorophenyl)methyl]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-1-ethylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19478917
2-(4-bromo-5-methylpyrazol-1-yl)-1-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 19531470
(E)-1-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-en-1-one
CID 19291066
3-(4-bromo-5-methylpyrazol-1-yl)-1-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 19560262
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 19331820
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 19291067
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(1-ethylpyrazol-3-yl)methanone
CID 19279205
4-bromo-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-5-carboxamide
CID 19476749
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 56817573
(4-chloro-1-ethylpyrazol-5-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19478958
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 17249551
2-[4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid
CID 19504583

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone (CID 19478906) is (4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone is CCn1ncc(Br)c1C(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is DGAISQKPZQWHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClFN4O/c1-2-24-16(14(18)10-21-24)17(25)23-7-5-22(6-8-23)11-12-3-4-13(20)9-15(12)19/h3-4,9-10H,2,5-8,11H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone?
(4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 429.72 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19478906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).