3,4,4,5,5-pentamethyl-1H-pyrazole

C8H16N2 — CID 14639195

IUPAC3,4,4,5,5-pentamethyl-1H-pyrazole
SMILESCC1=NNC(C)(C)C1(C)C
InChIInChI=1S/C8H16N2/c1-6-7(2,3)8(4,5)10-9-6/h10H,1-5H3
InChIKeyHKIXVXHMLVSZIT-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.77
Rot. Bonds

About 3,4,4,5,5-pentamethyl-1H-pyrazole

3,4,4,5,5-pentamethyl-1H-pyrazole (PubChem CID 14639195) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3,4,4,5,5-pentamethyl-1H-pyrazole.

Molecular Properties

Compound Name3,4,4,5,5-pentamethyl-1H-pyrazole
PubChem CID14639195
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3,4,4,5,5-pentamethyl-1H-pyrazole
SMILESCC1=NNC(C)(C)C1(C)C
InChIInChI=1S/C8H16N2/c1-6-7(2,3)8(4,5)10-9-6/h10H,1-5H3
InChIKeyHKIXVXHMLVSZIT-UHFFFAOYSA-N
XLogP1.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,4,5,5-pentamethyl-1H-pyrazole?
The IUPAC name of 3,4,4,5,5-pentamethyl-1H-pyrazole (CID 14639195) is 3,4,4,5,5-pentamethyl-1H-pyrazole.
What is the SMILES notation for 3,4,4,5,5-pentamethyl-1H-pyrazole?
The canonical SMILES for 3,4,4,5,5-pentamethyl-1H-pyrazole is CC1=NNC(C)(C)C1(C)C.
What is the InChIKey of 3,4,4,5,5-pentamethyl-1H-pyrazole?
The InChIKey is HKIXVXHMLVSZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-6-7(2,3)8(4,5)10-9-6/h10H,1-5H3.
What are the key properties of 3,4,4,5,5-pentamethyl-1H-pyrazole?
3,4,4,5,5-pentamethyl-1H-pyrazole has a molecular weight of 140.23 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,5,5-pentamethyl-1H-pyrazole is sourced from PubChem (CID 14639195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).