2-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]ethanamine

C14H17N3 — CID 178184391

IUPAC2-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]ethanamine
SMILESNCCc1cnn(CC=Cc2ccccc2)c1
InChIInChI=1S/C14H17N3/c15-9-8-14-11-16-17(12-14)10-4-7-13-5-2-1-3-6-13/h1-7,11-12H,8-10,15H2
InChIKeyKEGYCRKZNWBNOT-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.10
Rot. Bonds5

About 2-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]ethanamine

2-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]ethanamine (PubChem CID 178184391) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]ethanamine
PubChem CID178184391
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]ethanamine
SMILESNCCc1cnn(CC=Cc2ccccc2)c1
InChIInChI=1S/C14H17N3/c15-9-8-14-11-16-17(12-14)10-4-7-13-5-2-1-3-6-13/h1-7,11-12H,8-10,15H2
InChIKeyKEGYCRKZNWBNOT-UHFFFAOYSA-N
XLogP2.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]ethanamine 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

N-methyl-1-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]methanamine
CID 155896567
3-(diethylamino)-3-oxo-2-[[1-(3-phenylprop-2-enyl)pyrazol-4-yl]methyl]propanoic acid
CID 68507886
(E)-4-[1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]but-3-en-2-one
CID 157139624
1-[(E)-3-phenylprop-2-enyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 122240505
2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanamine
CID 62729673
3-[1-(3-methylbut-2-enyl)pyrazol-4-yl]propan-1-amine
CID 122240842
5-[[1-(3-phenylprop-2-enyl)triazol-4-yl]methyl]-1H-imidazol-2-amine
CID 76639738
4-phenyl-1-(3-phenylprop-2-enyl)imidazole
CID 57289864
2-[1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine
CID 106730698
2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine
CID 82282392
(E)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-ol
CID 131238869
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-3-yl]ethanamine
CID 103015036

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]ethanamine (CID 178184391) is 2-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]ethanamine is NCCc1cnn(CC=Cc2ccccc2)c1.
What is the InChIKey of 2-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]ethanamine?
The InChIKey is KEGYCRKZNWBNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c15-9-8-14-11-16-17(12-14)10-4-7-13-5-2-1-3-6-13/h1-7,11-12H,8-10,15H2.
What are the key properties of 2-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]ethanamine?
2-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]ethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 178184391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).