4-pentyl-5-prop-2-enyl-1H-pyrazole

C11H18N2 — CID 174864439

IUPAC4-pentyl-5-prop-2-enyl-1H-pyrazole
SMILESC=CCc1[nH]ncc1CCCCC
InChIInChI=1S/C11H18N2/c1-3-5-6-8-10-9-12-13-11(10)7-4-2/h4,9H,2-3,5-8H2,1H3,(H,12,13)
InChIKeyZGUPGJMCZKMDOY-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.87
Rot. Bonds6

About 4-pentyl-5-prop-2-enyl-1H-pyrazole

4-pentyl-5-prop-2-enyl-1H-pyrazole (PubChem CID 174864439) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-pentyl-5-prop-2-enyl-1H-pyrazole.

Molecular Properties

Compound Name4-pentyl-5-prop-2-enyl-1H-pyrazole
PubChem CID174864439
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-pentyl-5-prop-2-enyl-1H-pyrazole
SMILESC=CCc1[nH]ncc1CCCCC
InChIInChI=1S/C11H18N2/c1-3-5-6-8-10-9-12-13-11(10)7-4-2/h4,9H,2-3,5-8H2,1H3,(H,12,13)
InChIKeyZGUPGJMCZKMDOY-UHFFFAOYSA-N
XLogP2.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-pentyl-5-prop-2-enyl-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dipentyl-1H-pyrazole
CID 66669086
4,5-dihexyl-1H-pyrazole;hydrobromide
CID 174859356
5-butyl-4-ethyl-1H-pyrazole
CID 147341447
5-dodecyl-4-methyl-1H-pyrazole
CID 173176780
4,5-dipentyl-1H-pyridazin-6-one
CID 174602267
4-pentyl-5-prop-2-enyltriazine
CID 68573903
3-butyl-4-prop-2-enylthiophene
CID 139649678
N-chloro-5-pentyl-1H-pyrazol-4-amine
CID 88845700
1-pentyl-4-prop-2-enylbenzene
CID 24721930
1-butyl-2-prop-2-enylbenzene
CID 18786435
2,6-dihexyl-4-prop-2-enylphenol
CID 19799403
4-butyl-1H-pyrazole-5-carboxamide
CID 141158124

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-5-prop-2-enyl-1H-pyrazole?
The IUPAC name of 4-pentyl-5-prop-2-enyl-1H-pyrazole (CID 174864439) is 4-pentyl-5-prop-2-enyl-1H-pyrazole.
What is the SMILES notation for 4-pentyl-5-prop-2-enyl-1H-pyrazole?
The canonical SMILES for 4-pentyl-5-prop-2-enyl-1H-pyrazole is C=CCc1[nH]ncc1CCCCC.
What is the InChIKey of 4-pentyl-5-prop-2-enyl-1H-pyrazole?
The InChIKey is ZGUPGJMCZKMDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-5-6-8-10-9-12-13-11(10)7-4-2/h4,9H,2-3,5-8H2,1H3,(H,12,13).
What are the key properties of 4-pentyl-5-prop-2-enyl-1H-pyrazole?
4-pentyl-5-prop-2-enyl-1H-pyrazole has a molecular weight of 178.28 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-5-prop-2-enyl-1H-pyrazole is sourced from PubChem (CID 174864439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).