2-(4-chloro-1,3-dimethylpyrazol-5-yl)oxyethanamine

C7H12ClN3O — CID 84662341

IUPAC2-(4-chloro-1,3-dimethylpyrazol-5-yl)oxyethanamine
SMILESCc1nn(C)c(OCCN)c1Cl
InChIInChI=1S/C7H12ClN3O/c1-5-6(8)7(11(2)10-5)12-4-3-9/h3-4,9H2,1-2H3
InChIKeyHVTIDJAQZSMKHE-UHFFFAOYSA-N
MW189.65 g/mol
LogP0.72
Rot. Bonds3

About 2-(4-chloro-1,3-dimethylpyrazol-5-yl)oxyethanamine

2-(4-chloro-1,3-dimethylpyrazol-5-yl)oxyethanamine (PubChem CID 84662341) has the molecular formula C7H12ClN3O and a molecular weight of 189.65 g/mol. Its IUPAC name is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)oxyethanamine.

Molecular Properties

Compound Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)oxyethanamine
PubChem CID84662341
Molecular FormulaC7H12ClN3O
Molecular Weight189.65 g/mol
Exact Mass189.07
IUPAC Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)oxyethanamine
SMILESCc1nn(C)c(OCCN)c1Cl
InChIInChI=1S/C7H12ClN3O/c1-5-6(8)7(11(2)10-5)12-4-3-9/h3-4,9H2,1-2H3
InChIKeyHVTIDJAQZSMKHE-UHFFFAOYSA-N
XLogP0.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.65
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1,3-dimethylpyrazol-5-yl)oxypropan-2-amine
CID 84671971
2-(4-bromo-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyethanamine
CID 84710739
O-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine
CID 79427033
5-(2-ethoxyethoxy)-1,3-dimethylpyrazol-4-amine
CID 43554429
5-hexoxy-1,3-dimethylpyrazol-4-amine
CID 43554474
5-(2-methoxyethoxy)-1,3-dimethylpyrazole-4-carbothioamide
CID 63758810
5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazol-4-amine
CID 61102493
5-(2-aminoethoxy)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one
CID 103222890
4-chloro-1,3-dimethylpyrazol-5-olate
CID 147232015
4-chloro-5-fluoro-1,3-dimethylpyrazole
CID 170913532
5-(3-hydroxypropoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 63752575
2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanamine
CID 83892061

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)oxyethanamine?
The IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)oxyethanamine (CID 84662341) is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)oxyethanamine.
What is the SMILES notation for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)oxyethanamine?
The canonical SMILES for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)oxyethanamine is Cc1nn(C)c(OCCN)c1Cl.
What is the InChIKey of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)oxyethanamine?
The InChIKey is HVTIDJAQZSMKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3O/c1-5-6(8)7(11(2)10-5)12-4-3-9/h3-4,9H2,1-2H3.
What are the key properties of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)oxyethanamine?
2-(4-chloro-1,3-dimethylpyrazol-5-yl)oxyethanamine has a molecular weight of 189.65 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)oxyethanamine is sourced from PubChem (CID 84662341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).