1-[4-[5-(2,3-difluoro-6-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-4-methylpiperazine

C21H22F2N4O — CID 134329146

IUPAC1-[4-[5-(2,3-difluoro-6-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-4-methylpiperazine
SMILESCOc1ccc(F)c(F)c1-c1cc(-c2ccc(N3CCN(C)CC3)cc2)n[nH]1
InChIInChI=1S/C21H22F2N4O/c1-26-9-11-27(12-10-26)15-5-3-14(4-6-15)17-13-18(25-24-17)20-19(28-2)8-7-16(22)21(20)23/h3-8,13H,9-12H2,1-2H3,(H,24,25)
InChIKeyVNNXHJNBBXZJMK-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.78
Rot. Bonds4

About 1-[4-[5-(2,3-difluoro-6-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-4-methylpiperazine

1-[4-[5-(2,3-difluoro-6-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-4-methylpiperazine (PubChem CID 134329146) has the molecular formula C21H22F2N4O and a molecular weight of 384.43 g/mol. Its IUPAC name is 1-[4-[5-(2,3-difluoro-6-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-[5-(2,3-difluoro-6-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-4-methylpiperazine
PubChem CID134329146
Molecular FormulaC21H22F2N4O
Molecular Weight384.43 g/mol
Exact Mass384.18
IUPAC Name1-[4-[5-(2,3-difluoro-6-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-4-methylpiperazine
SMILESCOc1ccc(F)c(F)c1-c1cc(-c2ccc(N3CCN(C)CC3)cc2)n[nH]1
InChIInChI=1S/C21H22F2N4O/c1-26-9-11-27(12-10-26)15-5-3-14(4-6-15)17-13-18(25-24-17)20-19(28-2)8-7-16(22)21(20)23/h3-8,13H,9-12H2,1-2H3,(H,24,25)
InChIKeyVNNXHJNBBXZJMK-UHFFFAOYSA-N
XLogP3.78
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(2-methoxyphenyl)piperazine
CID 2812421
1-(2-ethoxyphenyl)-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812423
1-(4-fluorophenyl)-4-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812599
1-[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209918
N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(pyrrolidin-1-ylmethyl)aniline
CID 122184691
US11242343, Example 8
CID 134327873
6-Amino-4-(3-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2908945
4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 16195261
4-[(dimethylamino)methyl]-N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]aniline
CID 16742745
1-((1-(4-Fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)methyl)-4-(3-methoxyphenyl)piperazine
CID 49862154
3-(4-methylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]propan-1-amine
CID 73348043
2-(4-methylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]ethanamine
CID 73355628

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(2,3-difluoro-6-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-4-methylpiperazine?
The IUPAC name of 1-[4-[5-(2,3-difluoro-6-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-4-methylpiperazine (CID 134329146) is 1-[4-[5-(2,3-difluoro-6-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-[5-(2,3-difluoro-6-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[4-[5-(2,3-difluoro-6-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-4-methylpiperazine is COc1ccc(F)c(F)c1-c1cc(-c2ccc(N3CCN(C)CC3)cc2)n[nH]1.
What is the InChIKey of 1-[4-[5-(2,3-difluoro-6-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-4-methylpiperazine?
The InChIKey is VNNXHJNBBXZJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O/c1-26-9-11-27(12-10-26)15-5-3-14(4-6-15)17-13-18(25-24-17)20-19(28-2)8-7-16(22)21(20)23/h3-8,13H,9-12H2,1-2H3,(H,24,25).
What are the key properties of 1-[4-[5-(2,3-difluoro-6-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-4-methylpiperazine?
1-[4-[5-(2,3-difluoro-6-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-4-methylpiperazine has a molecular weight of 384.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(2,3-difluoro-6-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-4-methylpiperazine is sourced from PubChem (CID 134329146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).