1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine

C16H22N4 — CID 141348331

IUPAC1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
SMILESCN1CCN(Cc2cccc(Cn3cccn3)c2)CC1
InChIInChI=1S/C16H22N4/c1-18-8-10-19(11-9-18)13-15-4-2-5-16(12-15)14-20-7-3-6-17-20/h2-7,12H,8-11,13-14H2,1H3
InChIKeyQNGPCTATBPTKDX-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.68
Rot. Bonds4

About 1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine

1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine (PubChem CID 141348331) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
PubChem CID141348331
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
SMILESCN1CCN(Cc2cccc(Cn3cccn3)c2)CC1
InChIInChI=1S/C16H22N4/c1-18-8-10-19(11-9-18)13-15-4-2-5-16(12-15)14-20-7-3-6-17-20/h2-7,12H,8-11,13-14H2,1H3
InChIKeyQNGPCTATBPTKDX-UHFFFAOYSA-N
XLogP1.68
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N,N-dimethyl-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]azepan-4-amine
CID 95729068
4-piperidin-4-yl-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine
CID 146039698
1-methyl-4-[[1-[(3-pyrazol-1-ylphenyl)methyl]triazol-4-yl]methyl]piperazine
CID 138056348
1-[[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole
CID 99937518
trimethyl-[3-(pyrazol-1-ylmethyl)phenyl]silane
CID 141433506
2-[3-(pyrazol-1-ylmethyl)phenyl]acetaldehyde
CID 123588781
4-(hydroxymethyl)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]azepan-4-ol
CID 56908922
2-[methyl-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]amino]acetic acid
CID 91792545
3-(pyrazol-1-ylmethyl)phenol
CID 24745197
(3R)-2-methyl-8-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95727856
N-methyl-1,1-dioxo-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]thian-4-amine
CID 131918626
2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanethioamide
CID 82135769

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine (CID 141348331) is 1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine is CN1CCN(Cc2cccc(Cn3cccn3)c2)CC1.
What is the InChIKey of 1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine?
The InChIKey is QNGPCTATBPTKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-18-8-10-19(11-9-18)13-15-4-2-5-16(12-15)14-20-7-3-6-17-20/h2-7,12H,8-11,13-14H2,1H3.
What are the key properties of 1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine?
1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine has a molecular weight of 270.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 141348331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).