4-cyclopropyloxy-1H-pyrazole

C6H8N2O — CID 117233522

IUPAC4-cyclopropyloxy-1H-pyrazole
SMILESc1n[nH]cc1OC1CC1
InChIInChI=1S/C6H8N2O/c1-2-5(1)9-6-3-7-8-4-6/h3-5H,1-2H2,(H,7,8)
InChIKeySLIBEYAUNCHJQL-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.95
Rot. Bonds2

About 4-cyclopropyloxy-1H-pyrazole

4-cyclopropyloxy-1H-pyrazole (PubChem CID 117233522) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 4-cyclopropyloxy-1H-pyrazole.

Molecular Properties

Compound Name4-cyclopropyloxy-1H-pyrazole
PubChem CID117233522
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name4-cyclopropyloxy-1H-pyrazole
SMILESc1n[nH]cc1OC1CC1
InChIInChI=1S/C6H8N2O/c1-2-5(1)9-6-3-7-8-4-6/h3-5H,1-2H2,(H,7,8)
InChIKeySLIBEYAUNCHJQL-UHFFFAOYSA-N
XLogP0.95
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyloxy-1H-pyrazole?
The IUPAC name of 4-cyclopropyloxy-1H-pyrazole (CID 117233522) is 4-cyclopropyloxy-1H-pyrazole.
What is the SMILES notation for 4-cyclopropyloxy-1H-pyrazole?
The canonical SMILES for 4-cyclopropyloxy-1H-pyrazole is c1n[nH]cc1OC1CC1.
What is the InChIKey of 4-cyclopropyloxy-1H-pyrazole?
The InChIKey is SLIBEYAUNCHJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-2-5(1)9-6-3-7-8-4-6/h3-5H,1-2H2,(H,7,8).
What are the key properties of 4-cyclopropyloxy-1H-pyrazole?
4-cyclopropyloxy-1H-pyrazole has a molecular weight of 124.14 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyloxy-1H-pyrazole is sourced from PubChem (CID 117233522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).