2-cyclopropyl-2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-ylpiperazine

C17H30N4 — CID 103016338

IUPAC2-cyclopropyl-2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(CCc2ccnn2C)C(C)(C2CC2)CN1
InChIInChI=1S/C17H30N4/c1-13(2)16-11-21(10-8-15-7-9-19-20(15)4)17(3,12-18-16)14-5-6-14/h7,9,13-14,16,18H,5-6,8,10-12H2,1-4H3
InChIKeyJIAZNNMWVLGAQA-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.06
Rot. Bonds5

About 2-cyclopropyl-2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-ylpiperazine

2-cyclopropyl-2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-ylpiperazine (PubChem CID 103016338) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-ylpiperazine
PubChem CID103016338
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2-cyclopropyl-2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(CCc2ccnn2C)C(C)(C2CC2)CN1
InChIInChI=1S/C17H30N4/c1-13(2)16-11-21(10-8-15-7-9-19-20(15)4)17(3,12-18-16)14-5-6-14/h7,9,13-14,16,18H,5-6,8,10-12H2,1-4H3
InChIKeyJIAZNNMWVLGAQA-UHFFFAOYSA-N
XLogP2.06
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-ylpiperazine?
The IUPAC name of 2-cyclopropyl-2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-ylpiperazine (CID 103016338) is 2-cyclopropyl-2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-cyclopropyl-2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-ylpiperazine?
The canonical SMILES for 2-cyclopropyl-2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-ylpiperazine is CC(C)C1CN(CCc2ccnn2C)C(C)(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-ylpiperazine?
The InChIKey is JIAZNNMWVLGAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-13(2)16-11-21(10-8-15-7-9-19-20(15)4)17(3,12-18-16)14-5-6-14/h7,9,13-14,16,18H,5-6,8,10-12H2,1-4H3.
What are the key properties of 2-cyclopropyl-2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-ylpiperazine?
2-cyclopropyl-2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-ylpiperazine has a molecular weight of 290.45 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-ylpiperazine is sourced from PubChem (CID 103016338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).