1,5,5-trimethyl-4H-pyrazole

C6H12N2 — CID 823525

IUPAC1,5,5-trimethyl-4H-pyrazole
SMILESCN1N=CCC1(C)C
InChIInChI=1S/C6H12N2/c1-6(2)4-5-7-8(6)3/h5H,4H2,1-3H3
InChIKeyWTCVGHOOVIBCEW-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.09
Rot. Bonds

About 1,5,5-trimethyl-4H-pyrazole

1,5,5-trimethyl-4H-pyrazole (PubChem CID 823525) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1,5,5-trimethyl-4H-pyrazole.

Molecular Properties

Compound Name1,5,5-trimethyl-4H-pyrazole
PubChem CID823525
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1,5,5-trimethyl-4H-pyrazole
SMILESCN1N=CCC1(C)C
InChIInChI=1S/C6H12N2/c1-6(2)4-5-7-8(6)3/h5H,4H2,1-3H3
InChIKeyWTCVGHOOVIBCEW-UHFFFAOYSA-N
XLogP1.09
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethyl-4H-pyrazole?
The IUPAC name of 1,5,5-trimethyl-4H-pyrazole (CID 823525) is 1,5,5-trimethyl-4H-pyrazole.
What is the SMILES notation for 1,5,5-trimethyl-4H-pyrazole?
The canonical SMILES for 1,5,5-trimethyl-4H-pyrazole is CN1N=CCC1(C)C.
What is the InChIKey of 1,5,5-trimethyl-4H-pyrazole?
The InChIKey is WTCVGHOOVIBCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-6(2)4-5-7-8(6)3/h5H,4H2,1-3H3.
What are the key properties of 1,5,5-trimethyl-4H-pyrazole?
1,5,5-trimethyl-4H-pyrazole has a molecular weight of 112.18 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethyl-4H-pyrazole is sourced from PubChem (CID 823525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).