[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone

C20H18ClFN4O — CID 45276620

IUPAC[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1)N1CCNCC1
InChIInChI=1S/C20H18ClFN4O/c21-15-3-1-14(2-4-15)19-13-18(20(27)25-11-9-23-10-12-25)24-26(19)17-7-5-16(22)6-8-17/h1-8,13,23H,9-12H2
InChIKeyYNIBFQFRPICJDT-UHFFFAOYSA-N
MW384.84 g/mol
LogP3.38
Rot. Bonds3

About [5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone

[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone (PubChem CID 45276620) has the molecular formula C20H18ClFN4O and a molecular weight of 384.84 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
PubChem CID45276620
Molecular FormulaC20H18ClFN4O
Molecular Weight384.84 g/mol
Exact Mass384.12
IUPAC Name[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1)N1CCNCC1
InChIInChI=1S/C20H18ClFN4O/c21-15-3-1-14(2-4-15)19-13-18(20(27)25-11-9-23-10-12-25)24-26(19)17-7-5-16(22)6-8-17/h1-8,13,23H,9-12H2
InChIKeyYNIBFQFRPICJDT-UHFFFAOYSA-N
XLogP3.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]piperidin-4-one
CID 45276937
[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 45277095
[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone
CID 154744491
[5-(3-chloro-5-fluorophenyl)-1-(5-chloro-3-pyridinyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 141365455
[5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 5128071
(1-phenyl-5-pyridin-4-ylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 118215004
1,5-bis(4-chlorophenyl)pyrazole-3-carboxylic acid
CID 1477238
4-[1-(4-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-5-yl]benzenesulfonamide
CID 162668414
[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 10023598
[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 53067825
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110299520
[4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanone
CID 53006257

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone?
The IUPAC name of [5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone (CID 45276620) is [5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone is O=C(c1cc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1)N1CCNCC1.
What is the InChIKey of [5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone?
The InChIKey is YNIBFQFRPICJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O/c21-15-3-1-14(2-4-15)19-13-18(20(27)25-11-9-23-10-12-25)24-26(19)17-7-5-16(22)6-8-17/h1-8,13,23H,9-12H2.
What are the key properties of [5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone?
[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone has a molecular weight of 384.84 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 45276620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).