3,5-dimethyl-1-prop-2-ynylpyrazole

C8H10N2 — CID 3478178

IUPAC3,5-dimethyl-1-prop-2-ynylpyrazole
SMILESC#CCn1nc(C)cc1C
InChIInChI=1S/C8H10N2/c1-4-5-10-8(3)6-7(2)9-10/h1,6H,5H2,2-3H3
InChIKeyIOGBTEWONLZEOO-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.13
Rot. Bonds1

About 3,5-dimethyl-1-prop-2-ynylpyrazole

3,5-dimethyl-1-prop-2-ynylpyrazole (PubChem CID 3478178) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 3,5-dimethyl-1-prop-2-ynylpyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-prop-2-ynylpyrazole
PubChem CID3478178
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name3,5-dimethyl-1-prop-2-ynylpyrazole
SMILESC#CCn1nc(C)cc1C
InChIInChI=1S/C8H10N2/c1-4-5-10-8(3)6-7(2)9-10/h1,6H,5H2,2-3H3
InChIKeyIOGBTEWONLZEOO-UHFFFAOYSA-N
XLogP1.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-prop-2-ynylpyrazole?
The IUPAC name of 3,5-dimethyl-1-prop-2-ynylpyrazole (CID 3478178) is 3,5-dimethyl-1-prop-2-ynylpyrazole.
What is the SMILES notation for 3,5-dimethyl-1-prop-2-ynylpyrazole?
The canonical SMILES for 3,5-dimethyl-1-prop-2-ynylpyrazole is C#CCn1nc(C)cc1C.
What is the InChIKey of 3,5-dimethyl-1-prop-2-ynylpyrazole?
The InChIKey is IOGBTEWONLZEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-4-5-10-8(3)6-7(2)9-10/h1,6H,5H2,2-3H3.
What are the key properties of 3,5-dimethyl-1-prop-2-ynylpyrazole?
3,5-dimethyl-1-prop-2-ynylpyrazole has a molecular weight of 134.18 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-prop-2-ynylpyrazole is sourced from PubChem (CID 3478178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).