2-(4-chloro-1-propan-2-ylpyrazol-3-yl)ethanamine

C8H14ClN3 — CID 83876858

IUPAC2-(4-chloro-1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCC(C)n1cc(Cl)c(CCN)n1
InChIInChI=1S/C8H14ClN3/c1-6(2)12-5-7(9)8(11-12)3-4-10/h5-6H,3-4,10H2,1-2H3
InChIKeySXYARQQFBJDANZ-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.62
Rot. Bonds3

About 2-(4-chloro-1-propan-2-ylpyrazol-3-yl)ethanamine

2-(4-chloro-1-propan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 83876858) has the molecular formula C8H14ClN3 and a molecular weight of 187.67 g/mol. Its IUPAC name is 2-(4-chloro-1-propan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-1-propan-2-ylpyrazol-3-yl)ethanamine
PubChem CID83876858
Molecular FormulaC8H14ClN3
Molecular Weight187.67 g/mol
Exact Mass187.09
IUPAC Name2-(4-chloro-1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCC(C)n1cc(Cl)c(CCN)n1
InChIInChI=1S/C8H14ClN3/c1-6(2)12-5-7(9)8(11-12)3-4-10/h5-6H,3-4,10H2,1-2H3
InChIKeySXYARQQFBJDANZ-UHFFFAOYSA-N
XLogP1.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-propan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(4-chloro-1-propan-2-ylpyrazol-3-yl)ethanamine (CID 83876858) is 2-(4-chloro-1-propan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-1-propan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-1-propan-2-ylpyrazol-3-yl)ethanamine is CC(C)n1cc(Cl)c(CCN)n1.
What is the InChIKey of 2-(4-chloro-1-propan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is SXYARQQFBJDANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3/c1-6(2)12-5-7(9)8(11-12)3-4-10/h5-6H,3-4,10H2,1-2H3.
What are the key properties of 2-(4-chloro-1-propan-2-ylpyrazol-3-yl)ethanamine?
2-(4-chloro-1-propan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 187.67 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-propan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 83876858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).