2-(5-chloro-1-ethylpyrazol-4-yl)-N-methylethanamine

C8H14ClN3 — CID 84770611

IUPAC2-(5-chloro-1-ethylpyrazol-4-yl)-N-methylethanamine
SMILESCCn1ncc(CCNC)c1Cl
InChIInChI=1S/C8H14ClN3/c1-3-12-8(9)7(6-11-12)4-5-10-2/h6,10H,3-5H2,1-2H3
InChIKeyKOZNCHALTMXLLN-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.32
Rot. Bonds4

About 2-(5-chloro-1-ethylpyrazol-4-yl)-N-methylethanamine

2-(5-chloro-1-ethylpyrazol-4-yl)-N-methylethanamine (PubChem CID 84770611) has the molecular formula C8H14ClN3 and a molecular weight of 187.67 g/mol. Its IUPAC name is 2-(5-chloro-1-ethylpyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-1-ethylpyrazol-4-yl)-N-methylethanamine
PubChem CID84770611
Molecular FormulaC8H14ClN3
Molecular Weight187.67 g/mol
Exact Mass187.09
IUPAC Name2-(5-chloro-1-ethylpyrazol-4-yl)-N-methylethanamine
SMILESCCn1ncc(CCNC)c1Cl
InChIInChI=1S/C8H14ClN3/c1-3-12-8(9)7(6-11-12)4-5-10-2/h6,10H,3-5H2,1-2H3
InChIKeyKOZNCHALTMXLLN-UHFFFAOYSA-N
XLogP1.32
TPSA29.85 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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-1-ethylpyrazol-4-yl)methyl]hydroxylamine
CID 84767030
2-(5-chloro-1-cyclobutylpyrazol-4-yl)-N-methylethanamine
CID 115028565
1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]cyclopropan-1-amine
CID 105467292
1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]piperazine
CID 84801861
2-(5-tert-butyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 83831083
2-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine
CID 105481356
3-(4-bromo-1-ethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 114666999
2-(5-chloro-1-propylpyrazol-4-yl)ethanamine
CID 115017423
2-(5-chloro-1-ethylpyrazol-4-yl)propan-2-amine
CID 84770615
1-[5-(difluoromethyl)-1-ethylpyrazol-4-yl]-N-methylmethanamine
CID 66442333
3-(1-ethyl-4-methoxypyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 114667004
3-[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]propan-1-amine
CID 115068517

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-ethylpyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 2-(5-chloro-1-ethylpyrazol-4-yl)-N-methylethanamine (CID 84770611) is 2-(5-chloro-1-ethylpyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-1-ethylpyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-1-ethylpyrazol-4-yl)-N-methylethanamine is CCn1ncc(CCNC)c1Cl.
What is the InChIKey of 2-(5-chloro-1-ethylpyrazol-4-yl)-N-methylethanamine?
The InChIKey is KOZNCHALTMXLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3/c1-3-12-8(9)7(6-11-12)4-5-10-2/h6,10H,3-5H2,1-2H3.
What are the key properties of 2-(5-chloro-1-ethylpyrazol-4-yl)-N-methylethanamine?
2-(5-chloro-1-ethylpyrazol-4-yl)-N-methylethanamine has a molecular weight of 187.67 g/mol, XLogP of 1.32, 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-ethylpyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 84770611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).