1-(4-fluoro-3-methoxyphenyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine

C18H25FN4O2 — CID 122131802

IUPAC1-(4-fluoro-3-methoxyphenyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine
SMILESCOc1cc(N2CCN(Cc3c(C)nn(C)c3OC)CC2)ccc1F
InChIInChI=1S/C18H25FN4O2/c1-13-15(18(25-4)21(2)20-13)12-22-7-9-23(10-8-22)14-5-6-16(19)17(11-14)24-3/h5-6,11H,7-10,12H2,1-4H3
InChIKeyDCCPMEJYUAHZCI-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.21
Rot. Bonds5

About 1-(4-fluoro-3-methoxyphenyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine

1-(4-fluoro-3-methoxyphenyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine (PubChem CID 122131802) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine
PubChem CID122131802
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine
SMILESCOc1cc(N2CCN(Cc3c(C)nn(C)c3OC)CC2)ccc1F
InChIInChI=1S/C18H25FN4O2/c1-13-15(18(25-4)21(2)20-13)12-22-7-9-23(10-8-22)14-5-6-16(19)17(11-14)24-3/h5-6,11H,7-10,12H2,1-4H3
InChIKeyDCCPMEJYUAHZCI-UHFFFAOYSA-N
XLogP2.21
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-fluoro-2-pyridinyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 75470973
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 95850115
3-[[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]methyl]-1,2,5-oxadiazole
CID 146135879
1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazine
CID 126783078
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chlorophenyl)piperazine
CID 51326192
1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine
CID 126792510
4-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]aniline;hydrochloride
CID 91654280
4-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylaniline
CID 115777064
5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 171994632
1-(3-fluoro-4-methoxyphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 51104803
4-[4-(2-fluoroethyl)piperazin-1-yl]-2-methoxyaniline
CID 88571838
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 113463461

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine (CID 122131802) is 1-(4-fluoro-3-methoxyphenyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine is COc1cc(N2CCN(Cc3c(C)nn(C)c3OC)CC2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine?
The InChIKey is DCCPMEJYUAHZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-13-15(18(25-4)21(2)20-13)12-22-7-9-23(10-8-22)14-5-6-16(19)17(11-14)24-3/h5-6,11H,7-10,12H2,1-4H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine?
1-(4-fluoro-3-methoxyphenyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine has a molecular weight of 348.42 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 122131802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).