2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine

C9H17N3 — CID 23005867

IUPAC2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine
SMILESCCn1nc(C)c(CCN)c1C
InChIInChI=1S/C9H17N3/c1-4-12-8(3)9(5-6-10)7(2)11-12/h4-6,10H2,1-3H3
InChIKeyNFHRVFQYIGFFNZ-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.02
Rot. Bonds3

About 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine

2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine (PubChem CID 23005867) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine
PubChem CID23005867
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine
SMILESCCn1nc(C)c(CCN)c1C
InChIInChI=1S/C9H17N3/c1-4-12-8(3)9(5-6-10)7(2)11-12/h4-6,10H2,1-3H3
InChIKeyNFHRVFQYIGFFNZ-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine (CID 23005867) is 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine is CCn1nc(C)c(CCN)c1C.
What is the InChIKey of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine?
The InChIKey is NFHRVFQYIGFFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-12-8(3)9(5-6-10)7(2)11-12/h4-6,10H2,1-3H3.
What are the key properties of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine?
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine has a molecular weight of 167.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 23005867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).