1-[[2-(4-methylpyrazol-1-yl)phenyl]methyl]piperazine

C15H20N4 — CID 117394580

IUPAC1-[[2-(4-methylpyrazol-1-yl)phenyl]methyl]piperazine
SMILESCc1cnn(-c2ccccc2CN2CCNCC2)c1
InChIInChI=1S/C15H20N4/c1-13-10-17-19(11-13)15-5-3-2-4-14(15)12-18-8-6-16-7-9-18/h2-5,10-11,16H,6-9,12H2,1H3
InChIKeyMMPWPYMCBAGNTI-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.59
Rot. Bonds3

About 1-[[2-(4-methylpyrazol-1-yl)phenyl]methyl]piperazine

1-[[2-(4-methylpyrazol-1-yl)phenyl]methyl]piperazine (PubChem CID 117394580) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[[2-(4-methylpyrazol-1-yl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-(4-methylpyrazol-1-yl)phenyl]methyl]piperazine
PubChem CID117394580
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-[[2-(4-methylpyrazol-1-yl)phenyl]methyl]piperazine
SMILESCc1cnn(-c2ccccc2CN2CCNCC2)c1
InChIInChI=1S/C15H20N4/c1-13-10-17-19(11-13)15-5-3-2-4-14(15)12-18-8-6-16-7-9-18/h2-5,10-11,16H,6-9,12H2,1H3
InChIKeyMMPWPYMCBAGNTI-UHFFFAOYSA-N
XLogP1.59
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[(2-ethylphenyl)methyl]piperazine
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CID 82510160
1-methyl-4-[2-(piperazin-1-ylmethyl)phenyl]piperazine-2,3-dione
CID 117487288
1-[[1-(4-bromo-2-methylphenyl)pyrazol-4-yl]methyl]piperazine
CID 84610405
1-[[2-(4-phenylpiperidin-1-yl)phenyl]methyl]piperazine
CID 156786556
5-methyl-2-(piperazin-1-ylmethyl)phenol
CID 82610699
1-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 79002283
1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
CID 117436770
1-[(2-bromo-3-methylphenyl)methyl]piperazine
CID 83742586
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
2-[2-(piperazin-1-ylmethyl)phenyl]-1,2-oxazolidin-3-one
CID 117407731

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methylpyrazol-1-yl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[2-(4-methylpyrazol-1-yl)phenyl]methyl]piperazine (CID 117394580) is 1-[[2-(4-methylpyrazol-1-yl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[2-(4-methylpyrazol-1-yl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[2-(4-methylpyrazol-1-yl)phenyl]methyl]piperazine is Cc1cnn(-c2ccccc2CN2CCNCC2)c1.
What is the InChIKey of 1-[[2-(4-methylpyrazol-1-yl)phenyl]methyl]piperazine?
The InChIKey is MMPWPYMCBAGNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-13-10-17-19(11-13)15-5-3-2-4-14(15)12-18-8-6-16-7-9-18/h2-5,10-11,16H,6-9,12H2,1H3.
What are the key properties of 1-[[2-(4-methylpyrazol-1-yl)phenyl]methyl]piperazine?
1-[[2-(4-methylpyrazol-1-yl)phenyl]methyl]piperazine has a molecular weight of 256.35 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methylpyrazol-1-yl)phenyl]methyl]piperazine is sourced from PubChem (CID 117394580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).