1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine

C16H20F2N4 — CID 90507456

IUPAC1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
SMILESCc1n[nH]c(C)c1N1CCN(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C16H20F2N4/c1-11-16(12(2)20-19-11)22-7-5-21(6-8-22)10-13-9-14(17)3-4-15(13)18/h3-4,9H,5-8,10H2,1-2H3,(H,19,20)
InChIKeyZIFDUKCPZKPMOA-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.63
Rot. Bonds3

About 1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine

1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine (PubChem CID 90507456) has the molecular formula C16H20F2N4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
PubChem CID90507456
Molecular FormulaC16H20F2N4
Molecular Weight306.36 g/mol
Exact Mass306.17
IUPAC Name1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
SMILESCc1n[nH]c(C)c1N1CCN(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C16H20F2N4/c1-11-16(12(2)20-19-11)22-7-5-21(6-8-22)10-13-9-14(17)3-4-15(13)18/h3-4,9H,5-8,10H2,1-2H3,(H,19,20)
InChIKeyZIFDUKCPZKPMOA-UHFFFAOYSA-N
XLogP2.63
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine (CID 90507456) is 1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine is Cc1n[nH]c(C)c1N1CCN(Cc2cc(F)ccc2F)CC1.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine?
The InChIKey is ZIFDUKCPZKPMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4/c1-11-16(12(2)20-19-11)22-7-5-21(6-8-22)10-13-9-14(17)3-4-15(13)18/h3-4,9H,5-8,10H2,1-2H3,(H,19,20).
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine?
1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine has a molecular weight of 306.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine is sourced from PubChem (CID 90507456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).