1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol

C18H25FN4O — CID 56778734

IUPAC1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(Cc2ccn(-c3cccc(F)c3)n2)CC1C
InChIInChI=1S/C18H25FN4O/c1-14-11-21(8-9-22(14)12-15(2)24)13-17-6-7-23(20-17)18-5-3-4-16(19)10-18/h3-7,10,14-15,24H,8-9,11-13H2,1-2H3
InChIKeyJSKALXWWXDUSMD-UHFFFAOYSA-N
MW332.42 g/mol
LogP1.90
Rot. Bonds5

About 1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol

1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol (PubChem CID 56778734) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is 1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
PubChem CID56778734
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(Cc2ccn(-c3cccc(F)c3)n2)CC1C
InChIInChI=1S/C18H25FN4O/c1-14-11-21(8-9-22(14)12-15(2)24)13-17-6-7-23(20-17)18-5-3-4-16(19)10-18/h3-7,10,14-15,24H,8-9,11-13H2,1-2H3
InChIKeyJSKALXWWXDUSMD-UHFFFAOYSA-N
XLogP1.90
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol (CID 56778734) is 1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol is CC(O)CN1CCN(Cc2ccn(-c3cccc(F)c3)n2)CC1C.
What is the InChIKey of 1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol?
The InChIKey is JSKALXWWXDUSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O/c1-14-11-21(8-9-22(14)12-15(2)24)13-17-6-7-23(20-17)18-5-3-4-16(19)10-18/h3-7,10,14-15,24H,8-9,11-13H2,1-2H3.
What are the key properties of 1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol?
1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol has a molecular weight of 332.42 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 56778734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).