1,3-dimethyl-5-propan-2-ylpyrazole

C8H14N2 — CID 10630561

IUPAC1,3-dimethyl-5-propan-2-ylpyrazole
SMILESCc1cc(C(C)C)n(C)n1
InChIInChI=1S/C8H14N2/c1-6(2)8-5-7(3)9-10(8)4/h5-6H,1-4H3
InChIKeyVGIPFSZAJPAOPJ-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.85
Rot. Bonds1

About 1,3-dimethyl-5-propan-2-ylpyrazole

1,3-dimethyl-5-propan-2-ylpyrazole (PubChem CID 10630561) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1,3-dimethyl-5-propan-2-ylpyrazole.

Molecular Properties

Compound Name1,3-dimethyl-5-propan-2-ylpyrazole
PubChem CID10630561
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1,3-dimethyl-5-propan-2-ylpyrazole
SMILESCc1cc(C(C)C)n(C)n1
InChIInChI=1S/C8H14N2/c1-6(2)8-5-7(3)9-10(8)4/h5-6H,1-4H3
InChIKeyVGIPFSZAJPAOPJ-UHFFFAOYSA-N
XLogP1.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propan-2-ylpyrazole?
The IUPAC name of 1,3-dimethyl-5-propan-2-ylpyrazole (CID 10630561) is 1,3-dimethyl-5-propan-2-ylpyrazole.
What is the SMILES notation for 1,3-dimethyl-5-propan-2-ylpyrazole?
The canonical SMILES for 1,3-dimethyl-5-propan-2-ylpyrazole is Cc1cc(C(C)C)n(C)n1.
What is the InChIKey of 1,3-dimethyl-5-propan-2-ylpyrazole?
The InChIKey is VGIPFSZAJPAOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6(2)8-5-7(3)9-10(8)4/h5-6H,1-4H3.
What are the key properties of 1,3-dimethyl-5-propan-2-ylpyrazole?
1,3-dimethyl-5-propan-2-ylpyrazole has a molecular weight of 138.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propan-2-ylpyrazole is sourced from PubChem (CID 10630561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).