3-cyclopropyl-4-ethynyl-1-methylpyrazole

C9H10N2 — CID 66509541

IUPAC3-cyclopropyl-4-ethynyl-1-methylpyrazole
SMILESC#Cc1cn(C)nc1C1CC1
InChIInChI=1S/C9H10N2/c1-3-7-6-11(2)10-9(7)8-4-5-8/h1,6,8H,4-5H2,2H3
InChIKeyPYJOLYLAMYJZAA-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.28
Rot. Bonds1

About 3-cyclopropyl-4-ethynyl-1-methylpyrazole

3-cyclopropyl-4-ethynyl-1-methylpyrazole (PubChem CID 66509541) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-cyclopropyl-4-ethynyl-1-methylpyrazole.

Molecular Properties

Compound Name3-cyclopropyl-4-ethynyl-1-methylpyrazole
PubChem CID66509541
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name3-cyclopropyl-4-ethynyl-1-methylpyrazole
SMILESC#Cc1cn(C)nc1C1CC1
InChIInChI=1S/C9H10N2/c1-3-7-6-11(2)10-9(7)8-4-5-8/h1,6,8H,4-5H2,2H3
InChIKeyPYJOLYLAMYJZAA-UHFFFAOYSA-N
XLogP1.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.28
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-cyclopropyl-4-ethynyl-1-methylpyrazole?
The IUPAC name of 3-cyclopropyl-4-ethynyl-1-methylpyrazole (CID 66509541) is 3-cyclopropyl-4-ethynyl-1-methylpyrazole.
What is the SMILES notation for 3-cyclopropyl-4-ethynyl-1-methylpyrazole?
The canonical SMILES for 3-cyclopropyl-4-ethynyl-1-methylpyrazole is C#Cc1cn(C)nc1C1CC1.
What is the InChIKey of 3-cyclopropyl-4-ethynyl-1-methylpyrazole?
The InChIKey is PYJOLYLAMYJZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-3-7-6-11(2)10-9(7)8-4-5-8/h1,6,8H,4-5H2,2H3.
What are the key properties of 3-cyclopropyl-4-ethynyl-1-methylpyrazole?
3-cyclopropyl-4-ethynyl-1-methylpyrazole has a molecular weight of 146.19 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-ethynyl-1-methylpyrazole is sourced from PubChem (CID 66509541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).