1-butyl-3-propylpyrazole

C10H18N2 — CID 66015135

IUPAC1-butyl-3-propylpyrazole
SMILESCCCCn1ccc(CCC)n1
InChIInChI=1S/C10H18N2/c1-3-5-8-12-9-7-10(11-12)6-4-2/h7,9H,3-6,8H2,1-2H3
InChIKeyYODDFVGWHJFWRX-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.64
Rot. Bonds5

About 1-butyl-3-propylpyrazole

1-butyl-3-propylpyrazole (PubChem CID 66015135) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-butyl-3-propylpyrazole.

Molecular Properties

Compound Name1-butyl-3-propylpyrazole
PubChem CID66015135
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-butyl-3-propylpyrazole
SMILESCCCCn1ccc(CCC)n1
InChIInChI=1S/C10H18N2/c1-3-5-8-12-9-7-10(11-12)6-4-2/h7,9H,3-6,8H2,1-2H3
InChIKeyYODDFVGWHJFWRX-UHFFFAOYSA-N
XLogP2.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-propylpyrazole?
The IUPAC name of 1-butyl-3-propylpyrazole (CID 66015135) is 1-butyl-3-propylpyrazole.
What is the SMILES notation for 1-butyl-3-propylpyrazole?
The canonical SMILES for 1-butyl-3-propylpyrazole is CCCCn1ccc(CCC)n1.
What is the InChIKey of 1-butyl-3-propylpyrazole?
The InChIKey is YODDFVGWHJFWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-5-8-12-9-7-10(11-12)6-4-2/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 1-butyl-3-propylpyrazole?
1-butyl-3-propylpyrazole has a molecular weight of 166.27 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-propylpyrazole is sourced from PubChem (CID 66015135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).