3-methyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine

C12H22N4 — CID 115879784

IUPAC3-methyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine
SMILESCCCn1cc(CN2CCNC(C)C2)cn1
InChIInChI=1S/C12H22N4/c1-3-5-16-10-12(7-14-16)9-15-6-4-13-11(2)8-15/h7,10-11,13H,3-6,8-9H2,1-2H3
InChIKeyLYFOCUKBBPEOLG-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.09
Rot. Bonds4

About 3-methyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine

3-methyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine (PubChem CID 115879784) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3-methyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine
PubChem CID115879784
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name3-methyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine
SMILESCCCn1cc(CN2CCNC(C)C2)cn1
InChIInChI=1S/C12H22N4/c1-3-5-16-10-12(7-14-16)9-15-6-4-13-11(2)8-15/h7,10-11,13H,3-6,8-9H2,1-2H3
InChIKeyLYFOCUKBBPEOLG-UHFFFAOYSA-N
XLogP1.09
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 103885638
3-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64834001
3-methyl-1-[(3-propylimidazol-4-yl)methyl]piperazine
CID 66130031
3-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64832187
1-ethylsulfonyl-4-[(1-propylpyrazol-4-yl)methyl]piperazine
CID 126787487
2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
CID 103572299
1-benzyl-3-methylpiperazine;ethane
CID 166543639
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
2-(5-methyl-2-pyridinyl)-4-[(1-propylpyrazol-4-yl)methyl]morpholine
CID 127245697
2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 103573426
1-propyl-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 103573721
(2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine
CID 124941629

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 3-methyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine (CID 115879784) is 3-methyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 3-methyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 3-methyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine is CCCn1cc(CN2CCNC(C)C2)cn1.
What is the InChIKey of 3-methyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine?
The InChIKey is LYFOCUKBBPEOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-5-16-10-12(7-14-16)9-15-6-4-13-11(2)8-15/h7,10-11,13H,3-6,8-9H2,1-2H3.
What are the key properties of 3-methyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine?
3-methyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine has a molecular weight of 222.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 115879784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).