3-hexyl-2-methyl-4-pentyl-1,3-dihydropyrazole

C15H30N2 — CID 117060718

IUPAC3-hexyl-2-methyl-4-pentyl-1,3-dihydropyrazole
SMILESCCCCCCC1C(CCCCC)=CNN1C
InChIInChI=1S/C15H30N2/c1-4-6-8-10-12-15-14(11-9-7-5-2)13-16-17(15)3/h13,15-16H,4-12H2,1-3H3
InChIKeyAIDGEYZKZRPVTF-UHFFFAOYSA-N
MW238.42 g/mol
LogP4.24
Rot. Bonds9

About 3-hexyl-2-methyl-4-pentyl-1,3-dihydropyrazole

3-hexyl-2-methyl-4-pentyl-1,3-dihydropyrazole (PubChem CID 117060718) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-hexyl-2-methyl-4-pentyl-1,3-dihydropyrazole.

Molecular Properties

Compound Name3-hexyl-2-methyl-4-pentyl-1,3-dihydropyrazole
PubChem CID117060718
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-hexyl-2-methyl-4-pentyl-1,3-dihydropyrazole
SMILESCCCCCCC1C(CCCCC)=CNN1C
InChIInChI=1S/C15H30N2/c1-4-6-8-10-12-15-14(11-9-7-5-2)13-16-17(15)3/h13,15-16H,4-12H2,1-3H3
InChIKeyAIDGEYZKZRPVTF-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 54.24
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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Related Compounds

4-Amyl-5-hexylpyrazoline
CID 129783450
1-Isopropyl-4-ethyl-pyrazoline
CID 129790298
N-octyl-5-methylpyrazoline
CID 129811279
2,4-Dipentyl-1,3-dihydropyrazole
CID 69325833
2,4-Dipentyl-1,5-dihydropyrazole
CID 69325836
3-Ethyl-2,4-dimethyl-1,3-dihydropyrazole
CID 146392644
(4S)-4-ethyl-1-methyl-2,4,5,6,7,7a-hexahydroindazole
CID 163416173
3-Heptan-3-yl-2,4-dimethyl-1,3-dihydropyrazole
CID 166834566
2-Tert-butyl-5-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole
CID 168928517
1-Methyl-1-(2-methylhept-1-en-3-yl)hydrazine
CID 170293770
2,4,7-Trimethyl-1,5,6,7-tetrahydrodiazepine
CID 174301179
Azane;2,5-dipentyl-1,5-dihydropyrazole
CID 174530275

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-2-methyl-4-pentyl-1,3-dihydropyrazole?
The IUPAC name of 3-hexyl-2-methyl-4-pentyl-1,3-dihydropyrazole (CID 117060718) is 3-hexyl-2-methyl-4-pentyl-1,3-dihydropyrazole.
What is the SMILES notation for 3-hexyl-2-methyl-4-pentyl-1,3-dihydropyrazole?
The canonical SMILES for 3-hexyl-2-methyl-4-pentyl-1,3-dihydropyrazole is CCCCCCC1C(CCCCC)=CNN1C.
What is the InChIKey of 3-hexyl-2-methyl-4-pentyl-1,3-dihydropyrazole?
The InChIKey is AIDGEYZKZRPVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-6-8-10-12-15-14(11-9-7-5-2)13-16-17(15)3/h13,15-16H,4-12H2,1-3H3.
What are the key properties of 3-hexyl-2-methyl-4-pentyl-1,3-dihydropyrazole?
3-hexyl-2-methyl-4-pentyl-1,3-dihydropyrazole has a molecular weight of 238.42 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-2-methyl-4-pentyl-1,3-dihydropyrazole is sourced from PubChem (CID 117060718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).