5-cyclopropyl-1H-pyrazole

C6H8N2 — CID 7017816

IUPAC5-cyclopropyl-1H-pyrazole
SMILESc1cc(C2CC2)[nH]n1
InChIInChI=1S/C6H8N2/c1-2-5(1)6-3-4-7-8-6/h3-5H,1-2H2,(H,7,8)
InChIKeyTXWDVWSJMDFNQY-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.29
Rot. Bonds1

About 5-cyclopropyl-1H-pyrazole

5-cyclopropyl-1H-pyrazole (PubChem CID 7017816) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 5-cyclopropyl-1H-pyrazole.

Molecular Properties

Compound Name5-cyclopropyl-1H-pyrazole
PubChem CID7017816
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name5-cyclopropyl-1H-pyrazole
SMILESc1cc(C2CC2)[nH]n1
InChIInChI=1S/C6H8N2/c1-2-5(1)6-3-4-7-8-6/h3-5H,1-2H2,(H,7,8)
InChIKeyTXWDVWSJMDFNQY-UHFFFAOYSA-N
XLogP1.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-cyclopropyl-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1H-pyrazole?
The IUPAC name of 5-cyclopropyl-1H-pyrazole (CID 7017816) is 5-cyclopropyl-1H-pyrazole.
What is the SMILES notation for 5-cyclopropyl-1H-pyrazole?
The canonical SMILES for 5-cyclopropyl-1H-pyrazole is c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-1H-pyrazole?
The InChIKey is TXWDVWSJMDFNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-2-5(1)6-3-4-7-8-6/h3-5H,1-2H2,(H,7,8).
What are the key properties of 5-cyclopropyl-1H-pyrazole?
5-cyclopropyl-1H-pyrazole has a molecular weight of 108.14 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1H-pyrazole is sourced from PubChem (CID 7017816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).