(1-ethyl-3-methylpyrazol-4-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone

C18H23FN4O — CID 19478100

IUPAC(1-ethyl-3-methylpyrazol-4-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)c(C)n1
InChIInChI=1S/C18H23FN4O/c1-3-23-13-17(14(2)20-23)18(24)22-10-8-21(9-11-22)12-15-4-6-16(19)7-5-15/h4-7,13H,3,8-12H2,1-2H3
InChIKeyLHPYHQWUDGEFMS-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.31
Rot. Bonds4

About (1-ethyl-3-methylpyrazol-4-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone

(1-ethyl-3-methylpyrazol-4-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19478100) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is (1-ethyl-3-methylpyrazol-4-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-3-methylpyrazol-4-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19478100
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name(1-ethyl-3-methylpyrazol-4-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)c(C)n1
InChIInChI=1S/C18H23FN4O/c1-3-23-13-17(14(2)20-23)18(24)22-10-8-21(9-11-22)12-15-4-6-16(19)7-5-15/h4-7,13H,3,8-12H2,1-2H3
InChIKeyLHPYHQWUDGEFMS-UHFFFAOYSA-N
XLogP2.31
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone
CID 19478103
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone
CID 19478097
(1-ethylpyrazol-3-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19279210
(1-ethyl-3-methylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 82509456
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
CID 71691416
1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 4157405
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6471079
(4-benzylpiperazin-1-yl)-[3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanone
CID 16925732
[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]methanone
CID 19472649
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474417
(1-ethyl-3-methylpyrazol-4-yl)-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]methanone
CID 155990942
(1-ethyl-5-methylpyrazol-4-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19478179

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-methylpyrazol-4-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (1-ethyl-3-methylpyrazol-4-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone (CID 19478100) is (1-ethyl-3-methylpyrazol-4-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-3-methylpyrazol-4-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (1-ethyl-3-methylpyrazol-4-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone is CCn1cc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)c(C)n1.
What is the InChIKey of (1-ethyl-3-methylpyrazol-4-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is LHPYHQWUDGEFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-3-23-13-17(14(2)20-23)18(24)22-10-8-21(9-11-22)12-15-4-6-16(19)7-5-15/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of (1-ethyl-3-methylpyrazol-4-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
(1-ethyl-3-methylpyrazol-4-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 330.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-methylpyrazol-4-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19478100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).