1-(1,5-diethylpyrazol-4-yl)ethanamine

C9H17N3 — CID 23005787

IUPAC1-(1,5-diethylpyrazol-4-yl)ethanamine
SMILESCCc1c(C(C)N)cnn1CC
InChIInChI=1S/C9H17N3/c1-4-9-8(7(3)10)6-11-12(9)5-2/h6-7H,4-5,10H2,1-3H3
InChIKeyITKPOCAYGJQAKF-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.49
Rot. Bonds3

About 1-(1,5-diethylpyrazol-4-yl)ethanamine

1-(1,5-diethylpyrazol-4-yl)ethanamine (PubChem CID 23005787) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-(1,5-diethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1,5-diethylpyrazol-4-yl)ethanamine
PubChem CID23005787
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-(1,5-diethylpyrazol-4-yl)ethanamine
SMILESCCc1c(C(C)N)cnn1CC
InChIInChI=1S/C9H17N3/c1-4-9-8(7(3)10)6-11-12(9)5-2/h6-7H,4-5,10H2,1-3H3
InChIKeyITKPOCAYGJQAKF-UHFFFAOYSA-N
XLogP1.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethyl-5-propylpyrazol-4-yl)ethanamine
CID 105439739
(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)propan-1-amine
CID 30491833
4-bromo-1,5-diethylpyrazole
CID 66959053
2-(1-ethyl-5-propylpyrazol-4-yl)propanoic acid
CID 105464288
(1R)-1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
CID 59544188
1-(5-ethyl-1-methylpyrazol-4-yl)propan-1-amine
CID 23005817
[1-ethyl-5-(2-methylpropyl)pyrazol-4-yl]methanamine
CID 105439736
5-ethyl-1,4-di(propan-2-yl)pyrazole
CID 146648119
3-[4-(1-aminoethyl)-5-methylpyrazol-1-yl]propanenitrile
CID 43364146
4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one
CID 82442775
4-(bromomethyl)-1-ethyl-5-propylpyrazole
CID 66437286
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-2-methylbutan-1-one
CID 114671231

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-diethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(1,5-diethylpyrazol-4-yl)ethanamine (CID 23005787) is 1-(1,5-diethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(1,5-diethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(1,5-diethylpyrazol-4-yl)ethanamine is CCc1c(C(C)N)cnn1CC.
What is the InChIKey of 1-(1,5-diethylpyrazol-4-yl)ethanamine?
The InChIKey is ITKPOCAYGJQAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-9-8(7(3)10)6-11-12(9)5-2/h6-7H,4-5,10H2,1-3H3.
What are the key properties of 1-(1,5-diethylpyrazol-4-yl)ethanamine?
1-(1,5-diethylpyrazol-4-yl)ethanamine has a molecular weight of 167.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-diethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 23005787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).