4-cyclopropyl-1H-pyrazole

C6H8N2 — CID 13163973

IUPAC4-cyclopropyl-1H-pyrazole
SMILESc1n[nH]cc1C1CC1
InChIInChI=1S/C6H8N2/c1-2-5(1)6-3-7-8-4-6/h3-5H,1-2H2,(H,7,8)
InChIKeyFHHRJUAWRYSTJL-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.29
Rot. Bonds1

About 4-cyclopropyl-1H-pyrazole

4-cyclopropyl-1H-pyrazole (PubChem CID 13163973) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 4-cyclopropyl-1H-pyrazole.

Molecular Properties

Compound Name4-cyclopropyl-1H-pyrazole
PubChem CID13163973
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name4-cyclopropyl-1H-pyrazole
SMILESc1n[nH]cc1C1CC1
InChIInChI=1S/C6H8N2/c1-2-5(1)6-3-7-8-4-6/h3-5H,1-2H2,(H,7,8)
InChIKeyFHHRJUAWRYSTJL-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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1H-pyrazole?
The IUPAC name of 4-cyclopropyl-1H-pyrazole (CID 13163973) is 4-cyclopropyl-1H-pyrazole.
What is the SMILES notation for 4-cyclopropyl-1H-pyrazole?
The canonical SMILES for 4-cyclopropyl-1H-pyrazole is c1n[nH]cc1C1CC1.
What is the InChIKey of 4-cyclopropyl-1H-pyrazole?
The InChIKey is FHHRJUAWRYSTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-2-5(1)6-3-7-8-4-6/h3-5H,1-2H2,(H,7,8).
What are the key properties of 4-cyclopropyl-1H-pyrazole?
4-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 4-cyclopropyl-1H-pyrazole is sourced from PubChem (CID 13163973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).