2-(5-chloro-1-propylpyrazol-4-yl)ethanamine

C8H14ClN3 — CID 115017423

IUPAC2-(5-chloro-1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1ncc(CCN)c1Cl
InChIInChI=1S/C8H14ClN3/c1-2-5-12-8(9)7(3-4-10)6-11-12/h6H,2-5,10H2,1H3
InChIKeyYHAXTEQTLBYCHC-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.45
Rot. Bonds4

About 2-(5-chloro-1-propylpyrazol-4-yl)ethanamine

2-(5-chloro-1-propylpyrazol-4-yl)ethanamine (PubChem CID 115017423) has the molecular formula C8H14ClN3 and a molecular weight of 187.67 g/mol. Its IUPAC name is 2-(5-chloro-1-propylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-1-propylpyrazol-4-yl)ethanamine
PubChem CID115017423
Molecular FormulaC8H14ClN3
Molecular Weight187.67 g/mol
Exact Mass187.09
IUPAC Name2-(5-chloro-1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1ncc(CCN)c1Cl
InChIInChI=1S/C8H14ClN3/c1-2-5-12-8(9)7(3-4-10)6-11-12/h6H,2-5,10H2,1H3
InChIKeyYHAXTEQTLBYCHC-UHFFFAOYSA-N
XLogP1.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-propylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(5-chloro-1-propylpyrazol-4-yl)ethanamine (CID 115017423) is 2-(5-chloro-1-propylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-1-propylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-1-propylpyrazol-4-yl)ethanamine is CCCn1ncc(CCN)c1Cl.
What is the InChIKey of 2-(5-chloro-1-propylpyrazol-4-yl)ethanamine?
The InChIKey is YHAXTEQTLBYCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3/c1-2-5-12-8(9)7(3-4-10)6-11-12/h6H,2-5,10H2,1H3.
What are the key properties of 2-(5-chloro-1-propylpyrazol-4-yl)ethanamine?
2-(5-chloro-1-propylpyrazol-4-yl)ethanamine has a molecular weight of 187.67 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-propylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 115017423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).