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

C8H12ClN3 — CID 115017021

IUPAC2-(5-chloro-1-cyclopropylpyrazol-4-yl)ethanamine
SMILESNCCc1cnn(C2CC2)c1Cl
InChIInChI=1S/C8H12ClN3/c9-8-6(3-4-10)5-11-12(8)7-1-2-7/h5,7H,1-4,10H2
InChIKeyYGOLZORRVMWFST-UHFFFAOYSA-N
MW185.66 g/mol
LogP1.37
Rot. Bonds3

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

2-(5-chloro-1-cyclopropylpyrazol-4-yl)ethanamine (PubChem CID 115017021) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 2-(5-chloro-1-cyclopropylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-1-cyclopropylpyrazol-4-yl)ethanamine
PubChem CID115017021
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name2-(5-chloro-1-cyclopropylpyrazol-4-yl)ethanamine
SMILESNCCc1cnn(C2CC2)c1Cl
InChIInChI=1S/C8H12ClN3/c9-8-6(3-4-10)5-11-12(8)7-1-2-7/h5,7H,1-4,10H2
InChIKeyYGOLZORRVMWFST-UHFFFAOYSA-N
XLogP1.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 51.37
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-cyclopropylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(5-chloro-1-cyclopropylpyrazol-4-yl)ethanamine (CID 115017021) is 2-(5-chloro-1-cyclopropylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-1-cyclopropylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-1-cyclopropylpyrazol-4-yl)ethanamine is NCCc1cnn(C2CC2)c1Cl.
What is the InChIKey of 2-(5-chloro-1-cyclopropylpyrazol-4-yl)ethanamine?
The InChIKey is YGOLZORRVMWFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c9-8-6(3-4-10)5-11-12(8)7-1-2-7/h5,7H,1-4,10H2.
What are the key properties of 2-(5-chloro-1-cyclopropylpyrazol-4-yl)ethanamine?
2-(5-chloro-1-cyclopropylpyrazol-4-yl)ethanamine has a molecular weight of 185.66 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-cyclopropylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 115017021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).