3,4,4-trimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole

C14H22N4 — CID 139173897

IUPAC3,4,4-trimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole
SMILESCC1=NN=C(CCC2=NN=C(C)C2(C)C)C1(C)C
InChIInChI=1S/C14H22N4/c1-9-13(3,4)11(17-15-9)7-8-12-14(5,6)10(2)16-18-12/h7-8H2,1-6H3
InChIKeyVXGMYZBPXPRPGM-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.48
Rot. Bonds3

About 3,4,4-trimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole

3,4,4-trimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole (PubChem CID 139173897) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3,4,4-trimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole.

Molecular Properties

Compound Name3,4,4-trimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole
PubChem CID139173897
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name3,4,4-trimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole
SMILESCC1=NN=C(CCC2=NN=C(C)C2(C)C)C1(C)C
InChIInChI=1S/C14H22N4/c1-9-13(3,4)11(17-15-9)7-8-12-14(5,6)10(2)16-18-12/h7-8H2,1-6H3
InChIKeyVXGMYZBPXPRPGM-UHFFFAOYSA-N
XLogP3.48
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4,4-trimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole 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 3,4,4-trimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole?
The IUPAC name of 3,4,4-trimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole (CID 139173897) is 3,4,4-trimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole.
What is the SMILES notation for 3,4,4-trimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole?
The canonical SMILES for 3,4,4-trimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole is CC1=NN=C(CCC2=NN=C(C)C2(C)C)C1(C)C.
What is the InChIKey of 3,4,4-trimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole?
The InChIKey is VXGMYZBPXPRPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-9-13(3,4)11(17-15-9)7-8-12-14(5,6)10(2)16-18-12/h7-8H2,1-6H3.
What are the key properties of 3,4,4-trimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole?
3,4,4-trimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole has a molecular weight of 246.36 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole is sourced from PubChem (CID 139173897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).