4-propoxy-1H-pyrazole

C6H10N2O — CID 19962884

IUPAC4-propoxy-1H-pyrazole
SMILESCCCOc1cn[nH]c1
InChIInChI=1S/C6H10N2O/c1-2-3-9-6-4-7-8-5-6/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyFSHUUXABEGTSCV-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.20
Rot. Bonds3

About 4-propoxy-1H-pyrazole

4-propoxy-1H-pyrazole (PubChem CID 19962884) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 4-propoxy-1H-pyrazole.

Molecular Properties

Compound Name4-propoxy-1H-pyrazole
PubChem CID19962884
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name4-propoxy-1H-pyrazole
SMILESCCCOc1cn[nH]c1
InChIInChI=1S/C6H10N2O/c1-2-3-9-6-4-7-8-5-6/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyFSHUUXABEGTSCV-UHFFFAOYSA-N
XLogP1.20
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propoxy-1H-pyrazole?
The IUPAC name of 4-propoxy-1H-pyrazole (CID 19962884) is 4-propoxy-1H-pyrazole.
What is the SMILES notation for 4-propoxy-1H-pyrazole?
The canonical SMILES for 4-propoxy-1H-pyrazole is CCCOc1cn[nH]c1.
What is the InChIKey of 4-propoxy-1H-pyrazole?
The InChIKey is FSHUUXABEGTSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-2-3-9-6-4-7-8-5-6/h4-5H,2-3H2,1H3,(H,7,8).
What are the key properties of 4-propoxy-1H-pyrazole?
4-propoxy-1H-pyrazole has a molecular weight of 126.16 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-1H-pyrazole is sourced from PubChem (CID 19962884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).