2-(4-chloropyrazol-1-yl)-N-methylethanamine

C6H10ClN3 — CID 59134296

IUPAC2-(4-chloropyrazol-1-yl)-N-methylethanamine
SMILESCNCCn1cc(Cl)cn1
InChIInChI=1S/C6H10ClN3/c1-8-2-3-10-5-6(7)4-9-10/h4-5,8H,2-3H2,1H3
InChIKeyCULIGQFNNCPHHQ-UHFFFAOYSA-N
MW159.62 g/mol
LogP0.76
Rot. Bonds3

About 2-(4-chloropyrazol-1-yl)-N-methylethanamine

2-(4-chloropyrazol-1-yl)-N-methylethanamine (PubChem CID 59134296) has the molecular formula C6H10ClN3 and a molecular weight of 159.62 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-methylethanamine
PubChem CID59134296
Molecular FormulaC6H10ClN3
Molecular Weight159.62 g/mol
Exact Mass159.06
IUPAC Name2-(4-chloropyrazol-1-yl)-N-methylethanamine
SMILESCNCCn1cc(Cl)cn1
InChIInChI=1S/C6H10ClN3/c1-8-2-3-10-5-6(7)4-9-10/h4-5,8H,2-3H2,1H3
InChIKeyCULIGQFNNCPHHQ-UHFFFAOYSA-N
XLogP0.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-methylethanamine?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-methylethanamine (CID 59134296) is 2-(4-chloropyrazol-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-methylethanamine is CNCCn1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-methylethanamine?
The InChIKey is CULIGQFNNCPHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3/c1-8-2-3-10-5-6(7)4-9-10/h4-5,8H,2-3H2,1H3.
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-methylethanamine?
2-(4-chloropyrazol-1-yl)-N-methylethanamine has a molecular weight of 159.62 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-methylethanamine is sourced from PubChem (CID 59134296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).