1-(1-ethylpyrazol-4-yl)propan-1-amine

C8H15N3 — CID 23005819

IUPAC1-(1-ethylpyrazol-4-yl)propan-1-amine
SMILESCCC(N)c1cnn(CC)c1
InChIInChI=1S/C8H15N3/c1-3-8(9)7-5-10-11(4-2)6-7/h5-6,8H,3-4,9H2,1-2H3
InChIKeyIWEMWEPCPPOTEP-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.31
Rot. Bonds3

About 1-(1-ethylpyrazol-4-yl)propan-1-amine

1-(1-ethylpyrazol-4-yl)propan-1-amine (PubChem CID 23005819) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)propan-1-amine
PubChem CID23005819
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-(1-ethylpyrazol-4-yl)propan-1-amine
SMILESCCC(N)c1cnn(CC)c1
InChIInChI=1S/C8H15N3/c1-3-8(9)7-5-10-11(4-2)6-7/h5-6,8H,3-4,9H2,1-2H3
InChIKeyIWEMWEPCPPOTEP-UHFFFAOYSA-N
XLogP1.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)propan-1-amine (CID 23005819) is 1-(1-ethylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)propan-1-amine is CCC(N)c1cnn(CC)c1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)propan-1-amine?
The InChIKey is IWEMWEPCPPOTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-8(9)7-5-10-11(4-2)6-7/h5-6,8H,3-4,9H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)propan-1-amine?
1-(1-ethylpyrazol-4-yl)propan-1-amine has a molecular weight of 153.23 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 23005819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).