2-(4-chloro-3-cyclopropylpyrazol-1-yl)ethanamine

C8H12ClN3 — CID 19621818

IUPAC2-(4-chloro-3-cyclopropylpyrazol-1-yl)ethanamine
SMILESNCCn1cc(Cl)c(C2CC2)n1
InChIInChI=1S/C8H12ClN3/c9-7-5-12(4-3-10)11-8(7)6-1-2-6/h5-6H,1-4,10H2
InChIKeyXHWMKSMACVSFSE-UHFFFAOYSA-N
MW185.66 g/mol
LogP1.37
Rot. Bonds3

About 2-(4-chloro-3-cyclopropylpyrazol-1-yl)ethanamine

2-(4-chloro-3-cyclopropylpyrazol-1-yl)ethanamine (PubChem CID 19621818) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 2-(4-chloro-3-cyclopropylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-cyclopropylpyrazol-1-yl)ethanamine
PubChem CID19621818
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name2-(4-chloro-3-cyclopropylpyrazol-1-yl)ethanamine
SMILESNCCn1cc(Cl)c(C2CC2)n1
InChIInChI=1S/C8H12ClN3/c9-7-5-12(4-3-10)11-8(7)6-1-2-6/h5-6H,1-4,10H2
InChIKeyXHWMKSMACVSFSE-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-(4-chloro-3-cyclopropylpyrazol-1-yl)ethanamine?
The IUPAC name of 2-(4-chloro-3-cyclopropylpyrazol-1-yl)ethanamine (CID 19621818) is 2-(4-chloro-3-cyclopropylpyrazol-1-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-cyclopropylpyrazol-1-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-cyclopropylpyrazol-1-yl)ethanamine is NCCn1cc(Cl)c(C2CC2)n1.
What is the InChIKey of 2-(4-chloro-3-cyclopropylpyrazol-1-yl)ethanamine?
The InChIKey is XHWMKSMACVSFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c9-7-5-12(4-3-10)11-8(7)6-1-2-6/h5-6H,1-4,10H2.
What are the key properties of 2-(4-chloro-3-cyclopropylpyrazol-1-yl)ethanamine?
2-(4-chloro-3-cyclopropylpyrazol-1-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-(4-chloro-3-cyclopropylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 19621818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).