1-[(2-methylpyrazol-3-yl)methyl]-4-prop-2-ynylpiperazine

C12H18N4 — CID 97252257

IUPAC1-[(2-methylpyrazol-3-yl)methyl]-4-prop-2-ynylpiperazine
SMILESC#CCN1CCN(Cc2ccnn2C)CC1
InChIInChI=1S/C12H18N4/c1-3-6-15-7-9-16(10-8-15)11-12-4-5-13-14(12)2/h1,4-5H,6-11H2,2H3
InChIKeyBDWOHJUVAXKVRI-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.17
Rot. Bonds3

About 1-[(2-methylpyrazol-3-yl)methyl]-4-prop-2-ynylpiperazine

1-[(2-methylpyrazol-3-yl)methyl]-4-prop-2-ynylpiperazine (PubChem CID 97252257) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[(2-methylpyrazol-3-yl)methyl]-4-prop-2-ynylpiperazine.

Molecular Properties

Compound Name1-[(2-methylpyrazol-3-yl)methyl]-4-prop-2-ynylpiperazine
PubChem CID97252257
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1-[(2-methylpyrazol-3-yl)methyl]-4-prop-2-ynylpiperazine
SMILESC#CCN1CCN(Cc2ccnn2C)CC1
InChIInChI=1S/C12H18N4/c1-3-6-15-7-9-16(10-8-15)11-12-4-5-13-14(12)2/h1,4-5H,6-11H2,2H3
InChIKeyBDWOHJUVAXKVRI-UHFFFAOYSA-N
XLogP0.17
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpyrazol-3-yl)methyl]-4-prop-2-ynylpiperazine?
The IUPAC name of 1-[(2-methylpyrazol-3-yl)methyl]-4-prop-2-ynylpiperazine (CID 97252257) is 1-[(2-methylpyrazol-3-yl)methyl]-4-prop-2-ynylpiperazine.
What is the SMILES notation for 1-[(2-methylpyrazol-3-yl)methyl]-4-prop-2-ynylpiperazine?
The canonical SMILES for 1-[(2-methylpyrazol-3-yl)methyl]-4-prop-2-ynylpiperazine is C#CCN1CCN(Cc2ccnn2C)CC1.
What is the InChIKey of 1-[(2-methylpyrazol-3-yl)methyl]-4-prop-2-ynylpiperazine?
The InChIKey is BDWOHJUVAXKVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-6-15-7-9-16(10-8-15)11-12-4-5-13-14(12)2/h1,4-5H,6-11H2,2H3.
What are the key properties of 1-[(2-methylpyrazol-3-yl)methyl]-4-prop-2-ynylpiperazine?
1-[(2-methylpyrazol-3-yl)methyl]-4-prop-2-ynylpiperazine has a molecular weight of 218.30 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpyrazol-3-yl)methyl]-4-prop-2-ynylpiperazine is sourced from PubChem (CID 97252257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).