4-hexyl-2-methyl-1,5-dihydropyrazole

C10H20N2 — CID 71344545

IUPAC4-hexyl-2-methyl-1,5-dihydropyrazole
SMILESCCCCCCC1=CN(C)NC1
InChIInChI=1S/C10H20N2/c1-3-4-5-6-7-10-8-11-12(2)9-10/h9,11H,3-8H2,1-2H3
InChIKeyDHIHGUZIXSSMLO-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.29
Rot. Bonds5

About 4-hexyl-2-methyl-1,5-dihydropyrazole

4-hexyl-2-methyl-1,5-dihydropyrazole (PubChem CID 71344545) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-hexyl-2-methyl-1,5-dihydropyrazole.

Molecular Properties

Compound Name4-hexyl-2-methyl-1,5-dihydropyrazole
PubChem CID71344545
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name4-hexyl-2-methyl-1,5-dihydropyrazole
SMILESCCCCCCC1=CN(C)NC1
InChIInChI=1S/C10H20N2/c1-3-4-5-6-7-10-8-11-12(2)9-10/h9,11H,3-8H2,1-2H3
InChIKeyDHIHGUZIXSSMLO-UHFFFAOYSA-N
XLogP2.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hexyl-2-methyl-1,5-dihydropyrazole?
The IUPAC name of 4-hexyl-2-methyl-1,5-dihydropyrazole (CID 71344545) is 4-hexyl-2-methyl-1,5-dihydropyrazole.
What is the SMILES notation for 4-hexyl-2-methyl-1,5-dihydropyrazole?
The canonical SMILES for 4-hexyl-2-methyl-1,5-dihydropyrazole is CCCCCCC1=CN(C)NC1.
What is the InChIKey of 4-hexyl-2-methyl-1,5-dihydropyrazole?
The InChIKey is DHIHGUZIXSSMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-4-5-6-7-10-8-11-12(2)9-10/h9,11H,3-8H2,1-2H3.
What are the key properties of 4-hexyl-2-methyl-1,5-dihydropyrazole?
4-hexyl-2-methyl-1,5-dihydropyrazole has a molecular weight of 168.28 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-2-methyl-1,5-dihydropyrazole is sourced from PubChem (CID 71344545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).