5-cyclopropyl-1-phenylpyrazole

C12H12N2 — CID 67206706

IUPAC5-cyclopropyl-1-phenylpyrazole
SMILESc1ccc(-n2nccc2C2CC2)cc1
InChIInChI=1S/C12H12N2/c1-2-4-11(5-3-1)14-12(8-9-13-14)10-6-7-10/h1-5,8-10H,6-7H2
InChIKeyUHTAGDTUWKUROA-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.75
Rot. Bonds2

About 5-cyclopropyl-1-phenylpyrazole

5-cyclopropyl-1-phenylpyrazole (PubChem CID 67206706) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-cyclopropyl-1-phenylpyrazole.

Molecular Properties

Compound Name5-cyclopropyl-1-phenylpyrazole
PubChem CID67206706
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name5-cyclopropyl-1-phenylpyrazole
SMILESc1ccc(-n2nccc2C2CC2)cc1
InChIInChI=1S/C12H12N2/c1-2-4-11(5-3-1)14-12(8-9-13-14)10-6-7-10/h1-5,8-10H,6-7H2
InChIKeyUHTAGDTUWKUROA-UHFFFAOYSA-N
XLogP2.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-phenylpyrazole?
The IUPAC name of 5-cyclopropyl-1-phenylpyrazole (CID 67206706) is 5-cyclopropyl-1-phenylpyrazole.
What is the SMILES notation for 5-cyclopropyl-1-phenylpyrazole?
The canonical SMILES for 5-cyclopropyl-1-phenylpyrazole is c1ccc(-n2nccc2C2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-1-phenylpyrazole?
The InChIKey is UHTAGDTUWKUROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-2-4-11(5-3-1)14-12(8-9-13-14)10-6-7-10/h1-5,8-10H,6-7H2.
What are the key properties of 5-cyclopropyl-1-phenylpyrazole?
5-cyclopropyl-1-phenylpyrazole has a molecular weight of 184.24 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-phenylpyrazole is sourced from PubChem (CID 67206706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).