3-(2-ethylpyrazol-3-yl)-1-phenylpropan-1-amine

C14H19N3 — CID 64503724

IUPAC3-(2-ethylpyrazol-3-yl)-1-phenylpropan-1-amine
SMILESCCn1nccc1CCC(N)c1ccccc1
InChIInChI=1S/C14H19N3/c1-2-17-13(10-11-16-17)8-9-14(15)12-6-4-3-5-7-12/h3-7,10-11,14H,2,8-9,15H2,1H3
InChIKeyWXJQNNROGSLWKO-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.54
Rot. Bonds5

About 3-(2-ethylpyrazol-3-yl)-1-phenylpropan-1-amine

3-(2-ethylpyrazol-3-yl)-1-phenylpropan-1-amine (PubChem CID 64503724) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-(2-ethylpyrazol-3-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2-ethylpyrazol-3-yl)-1-phenylpropan-1-amine
PubChem CID64503724
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-(2-ethylpyrazol-3-yl)-1-phenylpropan-1-amine
SMILESCCn1nccc1CCC(N)c1ccccc1
InChIInChI=1S/C14H19N3/c1-2-17-13(10-11-16-17)8-9-14(15)12-6-4-3-5-7-12/h3-7,10-11,14H,2,8-9,15H2,1H3
InChIKeyWXJQNNROGSLWKO-UHFFFAOYSA-N
XLogP2.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chloroethyl)-1-ethylpyrazole
CID 63974716
3-(4-methoxy-1-propylpyrazol-5-yl)-1-phenylpropan-1-amine
CID 114663919
5-(3-bromo-3-cyclopropylpropyl)-1-ethylpyrazole
CID 64506978
1-(1-ethylpyrazol-4-yl)-3-pyridin-2-ylpropan-1-amine
CID 105109214
2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid
CID 114555699
1-(1-benzylpyrazol-4-yl)-N-[2-(2-ethylpyrazol-3-yl)ethyl]ethanamine
CID 167766931
N-[3-(2-ethylpyrazol-3-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 81027901
1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine
CID 63975113
3-(2-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)propan-1-amine
CID 103030963
1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine
CID 105148342
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955
3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 103031051

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpyrazol-3-yl)-1-phenylpropan-1-amine?
The IUPAC name of 3-(2-ethylpyrazol-3-yl)-1-phenylpropan-1-amine (CID 64503724) is 3-(2-ethylpyrazol-3-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(2-ethylpyrazol-3-yl)-1-phenylpropan-1-amine?
The canonical SMILES for 3-(2-ethylpyrazol-3-yl)-1-phenylpropan-1-amine is CCn1nccc1CCC(N)c1ccccc1.
What is the InChIKey of 3-(2-ethylpyrazol-3-yl)-1-phenylpropan-1-amine?
The InChIKey is WXJQNNROGSLWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-17-13(10-11-16-17)8-9-14(15)12-6-4-3-5-7-12/h3-7,10-11,14H,2,8-9,15H2,1H3.
What are the key properties of 3-(2-ethylpyrazol-3-yl)-1-phenylpropan-1-amine?
3-(2-ethylpyrazol-3-yl)-1-phenylpropan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpyrazol-3-yl)-1-phenylpropan-1-amine is sourced from PubChem (CID 64503724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).