2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone

C24H29FN6O2 — CID 71573342

IUPAC2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCCCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2ncc(OC)cn2)CC1
InChIInChI=1S/C24H29FN6O2/c1-4-5-19-13-22(18-6-7-21(25)17(2)12-18)28-31(19)16-23(32)29-8-10-30(11-9-29)24-26-14-20(33-3)15-27-24/h6-7,12-15H,4-5,8-11,16H2,1-3H3
InChIKeyZSCRHCMSVSBPOA-UHFFFAOYSA-N
MW452.53 g/mol
LogP3.10
Rot. Bonds7

About 2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone

2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone (PubChem CID 71573342) has the molecular formula C24H29FN6O2 and a molecular weight of 452.53 g/mol. Its IUPAC name is 2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
PubChem CID71573342
Molecular FormulaC24H29FN6O2
Molecular Weight452.53 g/mol
Exact Mass452.23
IUPAC Name2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCCCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2ncc(OC)cn2)CC1
InChIInChI=1S/C24H29FN6O2/c1-4-5-19-13-22(18-6-7-21(25)17(2)12-18)28-31(19)16-23(32)29-8-10-30(11-9-29)24-26-14-20(33-3)15-27-24/h6-7,12-15H,4-5,8-11,16H2,1-3H3
InChIKeyZSCRHCMSVSBPOA-UHFFFAOYSA-N
XLogP3.10
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone (CID 71573342) is 2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone is CCCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2ncc(OC)cn2)CC1.
What is the InChIKey of 2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is ZSCRHCMSVSBPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O2/c1-4-5-19-13-22(18-6-7-21(25)17(2)12-18)28-31(19)16-23(32)29-8-10-30(11-9-29)24-26-14-20(33-3)15-27-24/h6-7,12-15H,4-5,8-11,16H2,1-3H3.
What are the key properties of 2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone?
2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 452.53 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71573342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).