3-cyclopropyl-1,5-dimethylpyrazole

C8H12N2 — CID 21365771

IUPAC3-cyclopropyl-1,5-dimethylpyrazole
SMILESCc1cc(C2CC2)nn1C
InChIInChI=1S/C8H12N2/c1-6-5-8(7-3-4-7)9-10(6)2/h5,7H,3-4H2,1-2H3
InChIKeyQRXKPXDJMADVRB-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.61
Rot. Bonds1

About 3-cyclopropyl-1,5-dimethylpyrazole

3-cyclopropyl-1,5-dimethylpyrazole (PubChem CID 21365771) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3-cyclopropyl-1,5-dimethylpyrazole.

Molecular Properties

Compound Name3-cyclopropyl-1,5-dimethylpyrazole
PubChem CID21365771
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3-cyclopropyl-1,5-dimethylpyrazole
SMILESCc1cc(C2CC2)nn1C
InChIInChI=1S/C8H12N2/c1-6-5-8(7-3-4-7)9-10(6)2/h5,7H,3-4H2,1-2H3
InChIKeyQRXKPXDJMADVRB-UHFFFAOYSA-N
XLogP1.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1,5-dimethylpyrazole?
The IUPAC name of 3-cyclopropyl-1,5-dimethylpyrazole (CID 21365771) is 3-cyclopropyl-1,5-dimethylpyrazole.
What is the SMILES notation for 3-cyclopropyl-1,5-dimethylpyrazole?
The canonical SMILES for 3-cyclopropyl-1,5-dimethylpyrazole is Cc1cc(C2CC2)nn1C.
What is the InChIKey of 3-cyclopropyl-1,5-dimethylpyrazole?
The InChIKey is QRXKPXDJMADVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6-5-8(7-3-4-7)9-10(6)2/h5,7H,3-4H2,1-2H3.
What are the key properties of 3-cyclopropyl-1,5-dimethylpyrazole?
3-cyclopropyl-1,5-dimethylpyrazole has a molecular weight of 136.20 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1,5-dimethylpyrazole is sourced from PubChem (CID 21365771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).