1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazine

C14H26N4 — CID 146909687

IUPAC1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazine
SMILESCC(C)c1cn(C(C)C)nc1CN1CCNCC1
InChIInChI=1S/C14H26N4/c1-11(2)13-9-18(12(3)4)16-14(13)10-17-7-5-15-6-8-17/h9,11-12,15H,5-8,10H2,1-4H3
InChIKeyABBHPRRGWKWGTI-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.99
Rot. Bonds4

About 1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazine

1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazine (PubChem CID 146909687) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazine
PubChem CID146909687
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazine
SMILESCC(C)c1cn(C(C)C)nc1CN1CCNCC1
InChIInChI=1S/C14H26N4/c1-11(2)13-9-18(12(3)4)16-14(13)10-17-7-5-15-6-8-17/h9,11-12,15H,5-8,10H2,1-4H3
InChIKeyABBHPRRGWKWGTI-UHFFFAOYSA-N
XLogP1.99
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[1,4-di(propan-2-yl)pyrazol-3-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

Frequently Asked Questions

What is the IUPAC name of 1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazine?
The IUPAC name of 1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazine (CID 146909687) is 1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazine.
What is the SMILES notation for 1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazine?
The canonical SMILES for 1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazine is CC(C)c1cn(C(C)C)nc1CN1CCNCC1.
What is the InChIKey of 1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazine?
The InChIKey is ABBHPRRGWKWGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11(2)13-9-18(12(3)4)16-14(13)10-17-7-5-15-6-8-17/h9,11-12,15H,5-8,10H2,1-4H3.
What are the key properties of 1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazine?
1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazine has a molecular weight of 250.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazine is sourced from PubChem (CID 146909687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).