4,5-dipentyl-1H-pyrazole

C13H24N2 — CID 66669086

IUPAC4,5-dipentyl-1H-pyrazole
SMILESCCCCCc1cn[nH]c1CCCCC
InChIInChI=1S/C13H24N2/c1-3-5-7-9-12-11-14-15-13(12)10-8-6-4-2/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyKEEUXPZLCMRTCJ-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.88
Rot. Bonds8

About 4,5-dipentyl-1H-pyrazole

4,5-dipentyl-1H-pyrazole (PubChem CID 66669086) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 4,5-dipentyl-1H-pyrazole.

Molecular Properties

Compound Name4,5-dipentyl-1H-pyrazole
PubChem CID66669086
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name4,5-dipentyl-1H-pyrazole
SMILESCCCCCc1cn[nH]c1CCCCC
InChIInChI=1S/C13H24N2/c1-3-5-7-9-12-11-14-15-13(12)10-8-6-4-2/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyKEEUXPZLCMRTCJ-UHFFFAOYSA-N
XLogP3.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5-dihexyl-1H-pyrazole;hydrobromide
CID 174859356
5-butyl-4-ethyl-1H-pyrazole
CID 147341447
4-pentyl-5-prop-2-enyl-1H-pyrazole
CID 174864439
5-dodecyl-4-methyl-1H-pyrazole
CID 173176780
N-chloro-5-pentyl-1H-pyrazol-4-amine
CID 88845700
4,5-dipentyl-1H-pyridazin-6-one
CID 174602267
7-pentyl-1H-pyrazolo[4,3-b]pyridine
CID 68626923
4-butyl-1H-pyrazole-5-carboxylic acid
CID 69226428
4-butyl-1H-pyrazole-5-carboxamide
CID 141158124
N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine
CID 61004281
2,3-dihexadecyl-1H-pyrrole
CID 175695832
N'-methyl-N'-[(5-propyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of 4,5-dipentyl-1H-pyrazole?
The IUPAC name of 4,5-dipentyl-1H-pyrazole (CID 66669086) is 4,5-dipentyl-1H-pyrazole.
What is the SMILES notation for 4,5-dipentyl-1H-pyrazole?
The canonical SMILES for 4,5-dipentyl-1H-pyrazole is CCCCCc1cn[nH]c1CCCCC.
What is the InChIKey of 4,5-dipentyl-1H-pyrazole?
The InChIKey is KEEUXPZLCMRTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-5-7-9-12-11-14-15-13(12)10-8-6-4-2/h11H,3-10H2,1-2H3,(H,14,15).
What are the key properties of 4,5-dipentyl-1H-pyrazole?
4,5-dipentyl-1H-pyrazole has a molecular weight of 208.35 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dipentyl-1H-pyrazole is sourced from PubChem (CID 66669086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).