2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride

C8H16ClN3 — CID 50988502

IUPAC2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
SMILESCc1nn(C)c(C)c1CCN.Cl
InChIInChI=1S/C8H15N3.ClH/c1-6-8(4-5-9)7(2)11(3)10-6;/h4-5,9H2,1-3H3;1H
InChIKeySGJLABBDYCYYDQ-UHFFFAOYSA-N
MW189.69 g/mol
LogP0.96
Rot. Bonds2

About 2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride

2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride (PubChem CID 50988502) has the molecular formula C8H16ClN3 and a molecular weight of 189.69 g/mol. Its IUPAC name is 2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
PubChem CID50988502
Molecular FormulaC8H16ClN3
Molecular Weight189.69 g/mol
Exact Mass189.10
IUPAC Name2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
SMILESCc1nn(C)c(C)c1CCN.Cl
InChIInChI=1S/C8H15N3.ClH/c1-6-8(4-5-9)7(2)11(3)10-6;/h4-5,9H2,1-3H3;1H
InChIKeySGJLABBDYCYYDQ-UHFFFAOYSA-N
XLogP0.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluoropropyl)-1,3,5-trimethylpyrazole
CID 83930090
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 71755396
2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine
CID 167965198
2-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide
CID 130668312
4-(2-azidoethyl)-1,3,5-trimethylpyrazole
CID 23005972
3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 110460217
2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethanamine
CID 23005875
N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62682565
ethane;4-ethyl-1,3,5-trimethylpyrazole
CID 143917345
N'-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 103102216
2-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanamine
CID 62729687
N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 115318737

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride (CID 50988502) is 2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride is Cc1nn(C)c(C)c1CCN.Cl.
What is the InChIKey of 2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride?
The InChIKey is SGJLABBDYCYYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3.ClH/c1-6-8(4-5-9)7(2)11(3)10-6;/h4-5,9H2,1-3H3;1H.
What are the key properties of 2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride?
2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride has a molecular weight of 189.69 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 50988502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).