4-[(3,3-dimethyl-1,2-dihydropyrazol-4-yl)methyl]-3,3-dimethyl-1,2-dihydropyrazole

C11H20N4 — CID 102279502

IUPAC4-[(3,3-dimethyl-1,2-dihydropyrazol-4-yl)methyl]-3,3-dimethyl-1,2-dihydropyrazole
SMILESCC1(C)NNC=C1CC1=CNNC1(C)C
InChIInChI=1S/C11H20N4/c1-10(2)8(6-12-14-10)5-9-7-13-15-11(9,3)4/h6-7,12-15H,5H2,1-4H3
InChIKeyQPZYRVIVSGKZGG-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.92
Rot. Bonds2

About 4-[(3,3-dimethyl-1,2-dihydropyrazol-4-yl)methyl]-3,3-dimethyl-1,2-dihydropyrazole

4-[(3,3-dimethyl-1,2-dihydropyrazol-4-yl)methyl]-3,3-dimethyl-1,2-dihydropyrazole (PubChem CID 102279502) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-[(3,3-dimethyl-1,2-dihydropyrazol-4-yl)methyl]-3,3-dimethyl-1,2-dihydropyrazole.

Molecular Properties

Compound Name4-[(3,3-dimethyl-1,2-dihydropyrazol-4-yl)methyl]-3,3-dimethyl-1,2-dihydropyrazole
PubChem CID102279502
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-[(3,3-dimethyl-1,2-dihydropyrazol-4-yl)methyl]-3,3-dimethyl-1,2-dihydropyrazole
SMILESCC1(C)NNC=C1CC1=CNNC1(C)C
InChIInChI=1S/C11H20N4/c1-10(2)8(6-12-14-10)5-9-7-13-15-11(9,3)4/h6-7,12-15H,5H2,1-4H3
InChIKeyQPZYRVIVSGKZGG-UHFFFAOYSA-N
XLogP0.92
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-dimethyl-1,2-dihydropyrazol-4-yl)methyl]-3,3-dimethyl-1,2-dihydropyrazole?
The IUPAC name of 4-[(3,3-dimethyl-1,2-dihydropyrazol-4-yl)methyl]-3,3-dimethyl-1,2-dihydropyrazole (CID 102279502) is 4-[(3,3-dimethyl-1,2-dihydropyrazol-4-yl)methyl]-3,3-dimethyl-1,2-dihydropyrazole.
What is the SMILES notation for 4-[(3,3-dimethyl-1,2-dihydropyrazol-4-yl)methyl]-3,3-dimethyl-1,2-dihydropyrazole?
The canonical SMILES for 4-[(3,3-dimethyl-1,2-dihydropyrazol-4-yl)methyl]-3,3-dimethyl-1,2-dihydropyrazole is CC1(C)NNC=C1CC1=CNNC1(C)C.
What is the InChIKey of 4-[(3,3-dimethyl-1,2-dihydropyrazol-4-yl)methyl]-3,3-dimethyl-1,2-dihydropyrazole?
The InChIKey is QPZYRVIVSGKZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-10(2)8(6-12-14-10)5-9-7-13-15-11(9,3)4/h6-7,12-15H,5H2,1-4H3.
What are the key properties of 4-[(3,3-dimethyl-1,2-dihydropyrazol-4-yl)methyl]-3,3-dimethyl-1,2-dihydropyrazole?
4-[(3,3-dimethyl-1,2-dihydropyrazol-4-yl)methyl]-3,3-dimethyl-1,2-dihydropyrazole has a molecular weight of 208.31 g/mol, XLogP of 0.92, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-dimethyl-1,2-dihydropyrazol-4-yl)methyl]-3,3-dimethyl-1,2-dihydropyrazole is sourced from PubChem (CID 102279502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).