N-(2-phenylethyl)-3-pyrazol-1-ylpropan-1-amine

C14H19N3 — CID 112684820

IUPACN-(2-phenylethyl)-3-pyrazol-1-ylpropan-1-amine
SMILESc1ccc(CCNCCCn2cccn2)cc1
InChIInChI=1S/C14H19N3/c1-2-6-14(7-3-1)8-11-15-9-4-12-17-13-5-10-16-17/h1-3,5-7,10,13,15H,4,8-9,11-12H2
InChIKeyIYKAPTYSSDDPTI-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.11
Rot. Bonds7

About N-(2-phenylethyl)-3-pyrazol-1-ylpropan-1-amine

N-(2-phenylethyl)-3-pyrazol-1-ylpropan-1-amine (PubChem CID 112684820) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-(2-phenylethyl)-3-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-3-pyrazol-1-ylpropan-1-amine
PubChem CID112684820
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-(2-phenylethyl)-3-pyrazol-1-ylpropan-1-amine
SMILESc1ccc(CCNCCCn2cccn2)cc1
InChIInChI=1S/C14H19N3/c1-2-6-14(7-3-1)8-11-15-9-4-12-17-13-5-10-16-17/h1-3,5-7,10,13,15H,4,8-9,11-12H2
InChIKeyIYKAPTYSSDDPTI-UHFFFAOYSA-N
XLogP2.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.11
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

1-(2-phenylethyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111046491
2-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 79003445
N,N'-bis(2-phenylethyl)octane-1,8-diamine;dihydrobromide
CID 3029610
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
N,N'-bis(2-phenylethyl)heptane-1,7-diamine;dihydrobromide
CID 3028511
N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 61459569
3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-1-amine
CID 115612293
N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 54806957
N-(2-pyrazol-1-ylethyl)nonan-1-amine
CID 61463027
1-[2-(3-pyrazol-1-ylpropylamino)ethyl]triazole-4-carboxylic acid
CID 103263440
N-(2-phenylethyl)undecan-1-amine
CID 141108004
1-ethyl-3-(3-phenylpropyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111200019

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-3-pyrazol-1-ylpropan-1-amine?
The IUPAC name of N-(2-phenylethyl)-3-pyrazol-1-ylpropan-1-amine (CID 112684820) is N-(2-phenylethyl)-3-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for N-(2-phenylethyl)-3-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for N-(2-phenylethyl)-3-pyrazol-1-ylpropan-1-amine is c1ccc(CCNCCCn2cccn2)cc1.
What is the InChIKey of N-(2-phenylethyl)-3-pyrazol-1-ylpropan-1-amine?
The InChIKey is IYKAPTYSSDDPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-6-14(7-3-1)8-11-15-9-4-12-17-13-5-10-16-17/h1-3,5-7,10,13,15H,4,8-9,11-12H2.
What are the key properties of N-(2-phenylethyl)-3-pyrazol-1-ylpropan-1-amine?
N-(2-phenylethyl)-3-pyrazol-1-ylpropan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-3-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 112684820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).