1-methyl-3-(pyrazol-1-ylmethyl)piperazine

C9H16N4 — CID 90232368

IUPAC1-methyl-3-(pyrazol-1-ylmethyl)piperazine
SMILESCN1CCNC(Cn2cccn2)C1
InChIInChI=1S/C9H16N4/c1-12-6-4-10-9(7-12)8-13-5-2-3-11-13/h2-3,5,9-10H,4,6-8H2,1H3
InChIKeyJSNLHJZRAIGYPC-UHFFFAOYSA-N
MW180.26 g/mol
LogP-0.21
Rot. Bonds2

About 1-methyl-3-(pyrazol-1-ylmethyl)piperazine

1-methyl-3-(pyrazol-1-ylmethyl)piperazine (PubChem CID 90232368) has the molecular formula C9H16N4 and a molecular weight of 180.26 g/mol. Its IUPAC name is 1-methyl-3-(pyrazol-1-ylmethyl)piperazine.

Molecular Properties

Compound Name1-methyl-3-(pyrazol-1-ylmethyl)piperazine
PubChem CID90232368
Molecular FormulaC9H16N4
Molecular Weight180.26 g/mol
Exact Mass180.14
IUPAC Name1-methyl-3-(pyrazol-1-ylmethyl)piperazine
SMILESCN1CCNC(Cn2cccn2)C1
InChIInChI=1S/C9H16N4/c1-12-6-4-10-9(7-12)8-13-5-2-3-11-13/h2-3,5,9-10H,4,6-8H2,1H3
InChIKeyJSNLHJZRAIGYPC-UHFFFAOYSA-N
XLogP-0.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyrrolidin-2-ylmethyl)pyrazole
CID 25220770
1-methyl-3-[(1-methylimidazol-2-yl)methyl]piperazine
CID 83443620
(3R)-3-(fluoromethyl)-1-methylpiperazine
CID 67523011
2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole
CID 117029756
N-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pyridin-3-amine
CID 115239388
1-methyl-3-(2-phenylethyl)piperazine
CID 82470032
1-methyl-3-prop-2-enylpiperazine
CID 23395683
2-(4-methylpiperazin-2-yl)-1-pyridin-2-ylethanone
CID 116920037
3-(3,3-dimethylbutyl)-1-methylpiperazine
CID 116928268
1-methyl-3-[(5-propyl-1H-imidazol-2-yl)methyl]piperazine
CID 116881215
1-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperazine
CID 117044513
1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine
CID 90495378

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(pyrazol-1-ylmethyl)piperazine?
The IUPAC name of 1-methyl-3-(pyrazol-1-ylmethyl)piperazine (CID 90232368) is 1-methyl-3-(pyrazol-1-ylmethyl)piperazine.
What is the SMILES notation for 1-methyl-3-(pyrazol-1-ylmethyl)piperazine?
The canonical SMILES for 1-methyl-3-(pyrazol-1-ylmethyl)piperazine is CN1CCNC(Cn2cccn2)C1.
What is the InChIKey of 1-methyl-3-(pyrazol-1-ylmethyl)piperazine?
The InChIKey is JSNLHJZRAIGYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-12-6-4-10-9(7-12)8-13-5-2-3-11-13/h2-3,5,9-10H,4,6-8H2,1H3.
What are the key properties of 1-methyl-3-(pyrazol-1-ylmethyl)piperazine?
1-methyl-3-(pyrazol-1-ylmethyl)piperazine has a molecular weight of 180.26 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(pyrazol-1-ylmethyl)piperazine is sourced from PubChem (CID 90232368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).