2-(4-phenylbutyl)-3,4-dihydropyrazol-5-amine

C13H19N3 — CID 15916618

IUPAC2-(4-phenylbutyl)-3,4-dihydropyrazol-5-amine
SMILESNC1=NN(CCCCc2ccccc2)CC1
InChIInChI=1S/C13H19N3/c14-13-9-11-16(15-13)10-5-4-8-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H2,14,15)
InChIKeyGNHVKSYHPIMLDC-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.99
Rot. Bonds5

About 2-(4-phenylbutyl)-3,4-dihydropyrazol-5-amine

2-(4-phenylbutyl)-3,4-dihydropyrazol-5-amine (PubChem CID 15916618) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-(4-phenylbutyl)-3,4-dihydropyrazol-5-amine.

Molecular Properties

Compound Name2-(4-phenylbutyl)-3,4-dihydropyrazol-5-amine
PubChem CID15916618
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-(4-phenylbutyl)-3,4-dihydropyrazol-5-amine
SMILESNC1=NN(CCCCc2ccccc2)CC1
InChIInChI=1S/C13H19N3/c14-13-9-11-16(15-13)10-5-4-8-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H2,14,15)
InChIKeyGNHVKSYHPIMLDC-UHFFFAOYSA-N
XLogP1.99
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(3-phenylpropyl)-3,4-dihydropyrazol-5-amine
CID 83232450
4-phenylbutylbenzene
CID 141301927
[1-(4-phenylbutyl)piperidin-4-yl]methanamine
CID 69419059
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine
CID 23016534
5-methyl-1-(4-phenylbutyl)triazol-4-amine
CID 114335029
1-(4-phenylbutyl)piperidin-3-one
CID 114333663
4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine
CID 175917505
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
1-(8-phenyloctyl)-1,4,7,10-tetrazacyclododecane
CID 137439180

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylbutyl)-3,4-dihydropyrazol-5-amine?
The IUPAC name of 2-(4-phenylbutyl)-3,4-dihydropyrazol-5-amine (CID 15916618) is 2-(4-phenylbutyl)-3,4-dihydropyrazol-5-amine.
What is the SMILES notation for 2-(4-phenylbutyl)-3,4-dihydropyrazol-5-amine?
The canonical SMILES for 2-(4-phenylbutyl)-3,4-dihydropyrazol-5-amine is NC1=NN(CCCCc2ccccc2)CC1.
What is the InChIKey of 2-(4-phenylbutyl)-3,4-dihydropyrazol-5-amine?
The InChIKey is GNHVKSYHPIMLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c14-13-9-11-16(15-13)10-5-4-8-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H2,14,15).
What are the key properties of 2-(4-phenylbutyl)-3,4-dihydropyrazol-5-amine?
2-(4-phenylbutyl)-3,4-dihydropyrazol-5-amine has a molecular weight of 217.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylbutyl)-3,4-dihydropyrazol-5-amine is sourced from PubChem (CID 15916618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).