4-(oxolan-3-yl)-1H-pyrazole

C7H10N2O — CID 126851922

IUPAC4-(oxolan-3-yl)-1H-pyrazole
SMILESc1n[nH]cc1C1CCOC1
InChIInChI=1S/C7H10N2O/c1-2-10-5-6(1)7-3-8-9-4-7/h3-4,6H,1-2,5H2,(H,8,9)
InChIKeyLWCNNMRHNQFZND-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.91
Rot. Bonds1

About 4-(oxolan-3-yl)-1H-pyrazole

4-(oxolan-3-yl)-1H-pyrazole (PubChem CID 126851922) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-(oxolan-3-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-(oxolan-3-yl)-1H-pyrazole
PubChem CID126851922
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name4-(oxolan-3-yl)-1H-pyrazole
SMILESc1n[nH]cc1C1CCOC1
InChIInChI=1S/C7H10N2O/c1-2-10-5-6(1)7-3-8-9-4-7/h3-4,6H,1-2,5H2,(H,8,9)
InChIKeyLWCNNMRHNQFZND-UHFFFAOYSA-N
XLogP0.91
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yl)-1H-pyrazole?
The IUPAC name of 4-(oxolan-3-yl)-1H-pyrazole (CID 126851922) is 4-(oxolan-3-yl)-1H-pyrazole.
What is the SMILES notation for 4-(oxolan-3-yl)-1H-pyrazole?
The canonical SMILES for 4-(oxolan-3-yl)-1H-pyrazole is c1n[nH]cc1C1CCOC1.
What is the InChIKey of 4-(oxolan-3-yl)-1H-pyrazole?
The InChIKey is LWCNNMRHNQFZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-10-5-6(1)7-3-8-9-4-7/h3-4,6H,1-2,5H2,(H,8,9).
What are the key properties of 4-(oxolan-3-yl)-1H-pyrazole?
4-(oxolan-3-yl)-1H-pyrazole has a molecular weight of 138.17 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yl)-1H-pyrazole is sourced from PubChem (CID 126851922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).