1-propylpyrazole

C6H10N2 — CID 12711096

IUPAC1-propylpyrazole
SMILESCCCn1cccn1
InChIInChI=1S/C6H10N2/c1-2-5-8-6-3-4-7-8/h3-4,6H,2,5H2,1H3
InChIKeyBDMFEFZOOOYCKN-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.29
Rot. Bonds2

About 1-propylpyrazole

1-propylpyrazole (PubChem CID 12711096) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 1-propylpyrazole.

Molecular Properties

Compound Name1-propylpyrazole
PubChem CID12711096
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name1-propylpyrazole
SMILESCCCn1cccn1
InChIInChI=1S/C6H10N2/c1-2-5-8-6-3-4-7-8/h3-4,6H,2,5H2,1H3
InChIKeyBDMFEFZOOOYCKN-UHFFFAOYSA-N
XLogP1.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propylpyrazole?
The IUPAC name of 1-propylpyrazole (CID 12711096) is 1-propylpyrazole.
What is the SMILES notation for 1-propylpyrazole?
The canonical SMILES for 1-propylpyrazole is CCCn1cccn1.
What is the InChIKey of 1-propylpyrazole?
The InChIKey is BDMFEFZOOOYCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-5-8-6-3-4-7-8/h3-4,6H,2,5H2,1H3.
What are the key properties of 1-propylpyrazole?
1-propylpyrazole has a molecular weight of 110.16 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpyrazole is sourced from PubChem (CID 12711096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).