[1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone

C23H25FN4O2 — CID 42109754

IUPAC[1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H25FN4O2/c1-2-16-30-21-17-28(20-10-8-18(24)9-11-20)25-22(21)23(29)27-14-12-26(13-15-27)19-6-4-3-5-7-19/h3-11,17H,2,12-16H2,1H3
InChIKeyUUJSCUHAGTZSFS-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.76
Rot. Bonds6

About [1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone

[1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 42109754) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID42109754
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name[1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H25FN4O2/c1-2-16-30-21-17-28(20-10-8-18(24)9-11-20)25-22(21)23(29)27-14-12-26(13-15-27)19-6-4-3-5-7-19/h3-11,17H,2,12-16H2,1H3
InChIKeyUUJSCUHAGTZSFS-UHFFFAOYSA-N
XLogP3.76
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-phenyl-4-propoxypyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119357004
1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide
CID 42109759
(4-ethoxy-1-phenylpyrazol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429819
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(2-phenoxyethoxy)phenyl]methanone
CID 46797418
ethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate
CID 17404168
N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide
CID 42109762
N-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 146154385
(3S)-1-(4-ethoxy-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 99638837
(4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone
CID 17175869
(5-chloro-2-fluorophenyl)-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 55716386
1-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrazole-3-carboxamide
CID 66610665
N-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 138996163

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 42109754) is [1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone is CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is UUJSCUHAGTZSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-2-16-30-21-17-28(20-10-8-18(24)9-11-20)25-22(21)23(29)27-14-12-26(13-15-27)19-6-4-3-5-7-19/h3-11,17H,2,12-16H2,1H3.
What are the key properties of [1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 408.48 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 42109754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).