2-methyl-1-(1-methylpyrazol-3-yl)-4-propan-2-ylpiperazine

C12H22N4 — CID 176692531

IUPAC2-methyl-1-(1-methylpyrazol-3-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(c2ccn(C)n2)C(C)C1
InChIInChI=1S/C12H22N4/c1-10(2)15-7-8-16(11(3)9-15)12-5-6-14(4)13-12/h5-6,10-11H,7-9H2,1-4H3
InChIKeyUCOPQRUSORULQA-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.34
Rot. Bonds2

About 2-methyl-1-(1-methylpyrazol-3-yl)-4-propan-2-ylpiperazine

2-methyl-1-(1-methylpyrazol-3-yl)-4-propan-2-ylpiperazine (PubChem CID 176692531) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-methyl-1-(1-methylpyrazol-3-yl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-methyl-1-(1-methylpyrazol-3-yl)-4-propan-2-ylpiperazine
PubChem CID176692531
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-methyl-1-(1-methylpyrazol-3-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(c2ccn(C)n2)C(C)C1
InChIInChI=1S/C12H22N4/c1-10(2)15-7-8-16(11(3)9-15)12-5-6-14(4)13-12/h5-6,10-11H,7-9H2,1-4H3
InChIKeyUCOPQRUSORULQA-UHFFFAOYSA-N
XLogP1.34
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylpyrazol-3-yl)-4-propan-2-ylpiperazine?
The IUPAC name of 2-methyl-1-(1-methylpyrazol-3-yl)-4-propan-2-ylpiperazine (CID 176692531) is 2-methyl-1-(1-methylpyrazol-3-yl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 2-methyl-1-(1-methylpyrazol-3-yl)-4-propan-2-ylpiperazine?
The canonical SMILES for 2-methyl-1-(1-methylpyrazol-3-yl)-4-propan-2-ylpiperazine is CC(C)N1CCN(c2ccn(C)n2)C(C)C1.
What is the InChIKey of 2-methyl-1-(1-methylpyrazol-3-yl)-4-propan-2-ylpiperazine?
The InChIKey is UCOPQRUSORULQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)15-7-8-16(11(3)9-15)12-5-6-14(4)13-12/h5-6,10-11H,7-9H2,1-4H3.
What are the key properties of 2-methyl-1-(1-methylpyrazol-3-yl)-4-propan-2-ylpiperazine?
2-methyl-1-(1-methylpyrazol-3-yl)-4-propan-2-ylpiperazine has a molecular weight of 222.34 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylpyrazol-3-yl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 176692531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).