2-cyclopropyl-5,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine

C16H28N4 — CID 64861983

IUPAC2-cyclopropyl-5,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
SMILESCCC1(CC)CN(Cc2cnn(C)c2)C(C2CC2)CN1
InChIInChI=1S/C16H28N4/c1-4-16(5-2)12-20(11-13-8-18-19(3)10-13)15(9-17-16)14-6-7-14/h8,10,14-15,17H,4-7,9,11-12H2,1-3H3
InChIKeyVRJLILQNPYHZAA-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.16
Rot. Bonds5

About 2-cyclopropyl-5,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine

2-cyclopropyl-5,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine (PubChem CID 64861983) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-cyclopropyl-5,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name2-cyclopropyl-5,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
PubChem CID64861983
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-cyclopropyl-5,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
SMILESCCC1(CC)CN(Cc2cnn(C)c2)C(C2CC2)CN1
InChIInChI=1S/C16H28N4/c1-4-16(5-2)12-20(11-13-8-18-19(3)10-13)15(9-17-16)14-6-7-14/h8,10,14-15,17H,4-7,9,11-12H2,1-3H3
InChIKeyVRJLILQNPYHZAA-UHFFFAOYSA-N
XLogP2.16
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-5,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-5,5-diethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperazine
CID 103016627
2-cyclopropyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64839337
1-[(3-bromophenyl)methyl]-2-cyclopropyl-5,5-diethylpiperazine
CID 64861791
2-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpiperazine
CID 64838464
2-cyclopropyl-5,5-diethyl-1-(2-methylsulfanylethyl)piperazine
CID 113474584
2-cyclopropyl-5,5-diethyl-1-(3-methylbutyl)piperazine
CID 64861980
2,5,5-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64839289
5,5-diethyl-2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64861803
3-ethyl-3,7-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 64871624
2-cyclopropyl-5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107055845
3,3-diethyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 64870349
2-cyclopropyl-5-ethyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine
CID 65491763

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 2-cyclopropyl-5,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine (CID 64861983) is 2-cyclopropyl-5,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 2-cyclopropyl-5,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 2-cyclopropyl-5,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine is CCC1(CC)CN(Cc2cnn(C)c2)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-5,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
The InChIKey is VRJLILQNPYHZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-16(5-2)12-20(11-13-8-18-19(3)10-13)15(9-17-16)14-6-7-14/h8,10,14-15,17H,4-7,9,11-12H2,1-3H3.
What are the key properties of 2-cyclopropyl-5,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
2-cyclopropyl-5,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine has a molecular weight of 276.43 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 64861983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).