(5-chloro-2-fluorophenyl)-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone

C22H20ClFN4O3 — CID 55716386

IUPAC(5-chloro-2-fluorophenyl)-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone
SMILESCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C22H20ClFN4O3/c1-31-19-14-28(16-5-3-2-4-6-16)25-20(19)22(30)27-11-9-26(10-12-27)21(29)17-13-15(23)7-8-18(17)24/h2-8,13-14H,9-12H2,1H3
InChIKeyDWFPEQFBENUFFT-UHFFFAOYSA-N
MW442.88 g/mol
LogP3.27
Rot. Bonds4

About (5-chloro-2-fluorophenyl)-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone

(5-chloro-2-fluorophenyl)-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 55716386) has the molecular formula C22H20ClFN4O3 and a molecular weight of 442.88 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone
PubChem CID55716386
Molecular FormulaC22H20ClFN4O3
Molecular Weight442.88 g/mol
Exact Mass442.12
IUPAC Name(5-chloro-2-fluorophenyl)-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone
SMILESCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C22H20ClFN4O3/c1-31-19-14-28(16-5-3-2-4-6-16)25-20(19)22(30)27-11-9-26(10-12-27)21(29)17-13-15(23)7-8-18(17)24/h2-8,13-14H,9-12H2,1H3
InChIKeyDWFPEQFBENUFFT-UHFFFAOYSA-N
XLogP3.27
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.88
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-chloro-2-fluorophenyl)-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

ethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate
CID 17404168
(4-cyclopentylpiperazin-1-yl)-(4-methoxy-1-phenylpyrazol-3-yl)methanone
CID 134020644
1-benzofuran-2-yl-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 32538830
N-cyclopropyl-1-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide
CID 55904023
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615888
N-(2-fluoro-5-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561066
1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-3-(2,3-dimethoxyphenyl)propan-1-one
CID 55716290
[4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 16594388
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850151
(4-methoxy-1-phenylpyrazol-3-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30086740
[1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42109754
[4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 24625309

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone (CID 55716386) is (5-chloro-2-fluorophenyl)-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone is COc1cn(-c2ccccc2)nc1C(=O)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is DWFPEQFBENUFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O3/c1-31-19-14-28(16-5-3-2-4-6-16)25-20(19)22(30)27-11-9-26(10-12-27)21(29)17-13-15(23)7-8-18(17)24/h2-8,13-14H,9-12H2,1H3.
What are the key properties of (5-chloro-2-fluorophenyl)-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone?
(5-chloro-2-fluorophenyl)-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 442.88 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55716386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).