[4-(3-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

C18H24N4O2 — CID 31912909

IUPAC[4-(3-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCOc1cccc(N2CCN(C(=O)c3c(C)nn(C)c3C)CC2)c1
InChIInChI=1S/C18H24N4O2/c1-13-17(14(2)20(3)19-13)18(23)22-10-8-21(9-11-22)15-6-5-7-16(12-15)24-4/h5-7,12H,8-11H2,1-4H3
InChIKeyPNRAHIOFXJINJN-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.01
Rot. Bonds3

About [4-(3-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

[4-(3-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 31912909) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID31912909
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[4-(3-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCOc1cccc(N2CCN(C(=O)c3c(C)nn(C)c3C)CC2)c1
InChIInChI=1S/C18H24N4O2/c1-13-17(14(2)20(3)19-13)18(23)22-10-8-21(9-11-22)15-6-5-7-16(12-15)24-4/h5-7,12H,8-11H2,1-4H3
InChIKeyPNRAHIOFXJINJN-UHFFFAOYSA-N
XLogP2.01
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 33220761
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 38601130
[4-(2-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 42153662
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 78700917
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
(4,5-dibromothiophen-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38573712
[4-(4-methoxyphenyl)piperazin-1-yl]-[3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20936655
(2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 112789681
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 38575552
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 10094128
(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9372250

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 31912909) is [4-(3-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(3-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(3-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is COc1cccc(N2CCN(C(=O)c3c(C)nn(C)c3C)CC2)c1.
What is the InChIKey of [4-(3-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is PNRAHIOFXJINJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-17(14(2)20(3)19-13)18(23)22-10-8-21(9-11-22)15-6-5-7-16(12-15)24-4/h5-7,12H,8-11H2,1-4H3.
What are the key properties of [4-(3-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
[4-(3-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 31912909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).