3,5-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole

C9H12N4 — CID 12560600

IUPAC3,5-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole
SMILESCc1cc(C)n(-c2cc(C)[nH]n2)n1
InChIInChI=1S/C9H12N4/c1-6-5-9(11-10-6)13-8(3)4-7(2)12-13/h4-5H,1-3H3,(H,10,11)
InChIKeyJVTUGNXBSAHJHN-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.52
Rot. Bonds1

About 3,5-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole

3,5-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole (PubChem CID 12560600) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3,5-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole
PubChem CID12560600
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name3,5-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole
SMILESCc1cc(C)n(-c2cc(C)[nH]n2)n1
InChIInChI=1S/C9H12N4/c1-6-5-9(11-10-6)13-8(3)4-7(2)12-13/h4-5H,1-3H3,(H,10,11)
InChIKeyJVTUGNXBSAHJHN-UHFFFAOYSA-N
XLogP1.52
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole?
The IUPAC name of 3,5-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole (CID 12560600) is 3,5-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole?
The canonical SMILES for 3,5-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole is Cc1cc(C)n(-c2cc(C)[nH]n2)n1.
What is the InChIKey of 3,5-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole?
The InChIKey is JVTUGNXBSAHJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-6-5-9(11-10-6)13-8(3)4-7(2)12-13/h4-5H,1-3H3,(H,10,11).
What are the key properties of 3,5-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole?
3,5-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole has a molecular weight of 176.22 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole is sourced from PubChem (CID 12560600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).