3-[4-(4-fluorophenyl)-3-methylpiperazin-1-yl]-1-(5-pyrimidin-2-yl-1H-pyrazol-4-yl)propan-1-one;hydrochloride

C21H24ClFN6O — CID 67625583

IUPAC3-[4-(4-fluorophenyl)-3-methylpiperazin-1-yl]-1-(5-pyrimidin-2-yl-1H-pyrazol-4-yl)propan-1-one;hydrochloride
SMILESCC1CN(CCC(=O)c2cn[nH]c2-c2ncccn2)CCN1c1ccc(F)cc1.Cl
InChIInChI=1S/C21H23FN6O.ClH/c1-15-14-27(11-12-28(15)17-5-3-16(22)4-6-17)10-7-19(29)18-13-25-26-20(18)21-23-8-2-9-24-21;/h2-6,8-9,13,15H,7,10-12,14H2,1H3,(H,25,26);1H
InChIKeyLADAFYVBTHHAKC-UHFFFAOYSA-N
MW430.92 g/mol
LogP3.21
Rot. Bonds6

About 3-[4-(4-fluorophenyl)-3-methylpiperazin-1-yl]-1-(5-pyrimidin-2-yl-1H-pyrazol-4-yl)propan-1-one;hydrochloride

3-[4-(4-fluorophenyl)-3-methylpiperazin-1-yl]-1-(5-pyrimidin-2-yl-1H-pyrazol-4-yl)propan-1-one;hydrochloride (PubChem CID 67625583) has the molecular formula C21H24ClFN6O and a molecular weight of 430.92 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-3-methylpiperazin-1-yl]-1-(5-pyrimidin-2-yl-1H-pyrazol-4-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-3-methylpiperazin-1-yl]-1-(5-pyrimidin-2-yl-1H-pyrazol-4-yl)propan-1-one;hydrochloride
PubChem CID67625583
Molecular FormulaC21H24ClFN6O
Molecular Weight430.92 g/mol
Exact Mass430.17
IUPAC Name3-[4-(4-fluorophenyl)-3-methylpiperazin-1-yl]-1-(5-pyrimidin-2-yl-1H-pyrazol-4-yl)propan-1-one;hydrochloride
SMILESCC1CN(CCC(=O)c2cn[nH]c2-c2ncccn2)CCN1c1ccc(F)cc1.Cl
InChIInChI=1S/C21H23FN6O.ClH/c1-15-14-27(11-12-28(15)17-5-3-16(22)4-6-17)10-7-19(29)18-13-25-26-20(18)21-23-8-2-9-24-21;/h2-6,8-9,13,15H,7,10-12,14H2,1H3,(H,25,26);1H
InChIKeyLADAFYVBTHHAKC-UHFFFAOYSA-N
XLogP3.21
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-(4-fluorophenyl)-3-methylpiperazin-1-yl]-1-(5-pyrimidin-2-yl-1H-pyrazol-4-yl)propan-1-one;hydrochloride 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 3-[4-(4-fluorophenyl)-3-methylpiperazin-1-yl]-1-(5-pyrimidin-2-yl-1H-pyrazol-4-yl)propan-1-one;hydrochloride?
The IUPAC name of 3-[4-(4-fluorophenyl)-3-methylpiperazin-1-yl]-1-(5-pyrimidin-2-yl-1H-pyrazol-4-yl)propan-1-one;hydrochloride (CID 67625583) is 3-[4-(4-fluorophenyl)-3-methylpiperazin-1-yl]-1-(5-pyrimidin-2-yl-1H-pyrazol-4-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-3-methylpiperazin-1-yl]-1-(5-pyrimidin-2-yl-1H-pyrazol-4-yl)propan-1-one;hydrochloride?
The canonical SMILES for 3-[4-(4-fluorophenyl)-3-methylpiperazin-1-yl]-1-(5-pyrimidin-2-yl-1H-pyrazol-4-yl)propan-1-one;hydrochloride is CC1CN(CCC(=O)c2cn[nH]c2-c2ncccn2)CCN1c1ccc(F)cc1.Cl.
What is the InChIKey of 3-[4-(4-fluorophenyl)-3-methylpiperazin-1-yl]-1-(5-pyrimidin-2-yl-1H-pyrazol-4-yl)propan-1-one;hydrochloride?
The InChIKey is LADAFYVBTHHAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O.ClH/c1-15-14-27(11-12-28(15)17-5-3-16(22)4-6-17)10-7-19(29)18-13-25-26-20(18)21-23-8-2-9-24-21;/h2-6,8-9,13,15H,7,10-12,14H2,1H3,(H,25,26);1H.
What are the key properties of 3-[4-(4-fluorophenyl)-3-methylpiperazin-1-yl]-1-(5-pyrimidin-2-yl-1H-pyrazol-4-yl)propan-1-one;hydrochloride?
3-[4-(4-fluorophenyl)-3-methylpiperazin-1-yl]-1-(5-pyrimidin-2-yl-1H-pyrazol-4-yl)propan-1-one;hydrochloride has a molecular weight of 430.92 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-3-methylpiperazin-1-yl]-1-(5-pyrimidin-2-yl-1H-pyrazol-4-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 67625583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).