1-ethyl-3-(3-pyrazol-1-ylbutyl)pyrazole

C12H18N4 — CID 155007224

IUPAC1-ethyl-3-(3-pyrazol-1-ylbutyl)pyrazole
SMILESCCn1ccc(CCC(C)n2cccn2)n1
InChIInChI=1S/C12H18N4/c1-3-15-10-7-12(14-15)6-5-11(2)16-9-4-8-13-16/h4,7-11H,3,5-6H2,1-2H3
InChIKeyGFEWJYWQEWKRDA-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.29
Rot. Bonds5

About 1-ethyl-3-(3-pyrazol-1-ylbutyl)pyrazole

1-ethyl-3-(3-pyrazol-1-ylbutyl)pyrazole (PubChem CID 155007224) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-ethyl-3-(3-pyrazol-1-ylbutyl)pyrazole.

Molecular Properties

Compound Name1-ethyl-3-(3-pyrazol-1-ylbutyl)pyrazole
PubChem CID155007224
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1-ethyl-3-(3-pyrazol-1-ylbutyl)pyrazole
SMILESCCn1ccc(CCC(C)n2cccn2)n1
InChIInChI=1S/C12H18N4/c1-3-15-10-7-12(14-15)6-5-11(2)16-9-4-8-13-16/h4,7-11H,3,5-6H2,1-2H3
InChIKeyGFEWJYWQEWKRDA-UHFFFAOYSA-N
XLogP2.29
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-pyrazol-1-ylbutyl)pyrazole?
The IUPAC name of 1-ethyl-3-(3-pyrazol-1-ylbutyl)pyrazole (CID 155007224) is 1-ethyl-3-(3-pyrazol-1-ylbutyl)pyrazole.
What is the SMILES notation for 1-ethyl-3-(3-pyrazol-1-ylbutyl)pyrazole?
The canonical SMILES for 1-ethyl-3-(3-pyrazol-1-ylbutyl)pyrazole is CCn1ccc(CCC(C)n2cccn2)n1.
What is the InChIKey of 1-ethyl-3-(3-pyrazol-1-ylbutyl)pyrazole?
The InChIKey is GFEWJYWQEWKRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-15-10-7-12(14-15)6-5-11(2)16-9-4-8-13-16/h4,7-11H,3,5-6H2,1-2H3.
What are the key properties of 1-ethyl-3-(3-pyrazol-1-ylbutyl)pyrazole?
1-ethyl-3-(3-pyrazol-1-ylbutyl)pyrazole has a molecular weight of 218.30 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-pyrazol-1-ylbutyl)pyrazole is sourced from PubChem (CID 155007224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).