1-methyl-4-[3-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)prop-2-ynyl]piperazine

C16H24N4O — CID 166397192

IUPAC1-methyl-4-[3-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)prop-2-ynyl]piperazine
SMILESCN1CCN(C(C#Cc2cnn(C)c2)C2CCOC2)CC1
InChIInChI=1S/C16H24N4O/c1-18-6-8-20(9-7-18)16(15-5-10-21-13-15)4-3-14-11-17-19(2)12-14/h11-12,15-16H,5-10,13H2,1-2H3
InChIKeyIHFOVJWMXPRKKA-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.42
Rot. Bonds2

About 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)prop-2-ynyl]piperazine

1-methyl-4-[3-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)prop-2-ynyl]piperazine (PubChem CID 166397192) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)prop-2-ynyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)prop-2-ynyl]piperazine
PubChem CID166397192
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-methyl-4-[3-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)prop-2-ynyl]piperazine
SMILESCN1CCN(C(C#Cc2cnn(C)c2)C2CCOC2)CC1
InChIInChI=1S/C16H24N4O/c1-18-6-8-20(9-7-18)16(15-5-10-21-13-15)4-3-14-11-17-19(2)12-14/h11-12,15-16H,5-10,13H2,1-2H3
InChIKeyIHFOVJWMXPRKKA-UHFFFAOYSA-N
XLogP0.42
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methyl-4-[3-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)prop-2-ynyl]piperazine?
The IUPAC name of 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)prop-2-ynyl]piperazine (CID 166397192) is 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)prop-2-ynyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)prop-2-ynyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)prop-2-ynyl]piperazine is CN1CCN(C(C#Cc2cnn(C)c2)C2CCOC2)CC1.
What is the InChIKey of 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)prop-2-ynyl]piperazine?
The InChIKey is IHFOVJWMXPRKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-18-6-8-20(9-7-18)16(15-5-10-21-13-15)4-3-14-11-17-19(2)12-14/h11-12,15-16H,5-10,13H2,1-2H3.
What are the key properties of 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)prop-2-ynyl]piperazine?
1-methyl-4-[3-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)prop-2-ynyl]piperazine has a molecular weight of 288.39 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)prop-2-ynyl]piperazine is sourced from PubChem (CID 166397192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).