2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methoxyoxan-4-yl)ethanamine

C14H24ClN3O2 — CID 116764431

IUPAC2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methoxyoxan-4-yl)ethanamine
SMILESCCn1nc(C)c(Cl)c1CC(N)C1(OC)CCOCC1
InChIInChI=1S/C14H24ClN3O2/c1-4-18-11(13(15)10(2)17-18)9-12(16)14(19-3)5-7-20-8-6-14/h12H,4-9,16H2,1-3H3
InChIKeyGQMNPBWEJVUKPJ-UHFFFAOYSA-N
MW301.82 g/mol
LogP1.93
Rot. Bonds5

About 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methoxyoxan-4-yl)ethanamine

2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methoxyoxan-4-yl)ethanamine (PubChem CID 116764431) has the molecular formula C14H24ClN3O2 and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methoxyoxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methoxyoxan-4-yl)ethanamine
PubChem CID116764431
Molecular FormulaC14H24ClN3O2
Molecular Weight301.82 g/mol
Exact Mass301.16
IUPAC Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methoxyoxan-4-yl)ethanamine
SMILESCCn1nc(C)c(Cl)c1CC(N)C1(OC)CCOCC1
InChIInChI=1S/C14H24ClN3O2/c1-4-18-11(13(15)10(2)17-18)9-12(16)14(19-3)5-7-20-8-6-14/h12H,4-9,16H2,1-3H3
InChIKeyGQMNPBWEJVUKPJ-UHFFFAOYSA-N
XLogP1.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766208
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1-methoxycyclopentyl)ethanamine
CID 113432771
5-[[4-(bromomethyl)oxan-4-yl]methyl]-4-chloro-1-ethyl-3-methylpyrazole
CID 66051062
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methyloxan-4-amine
CID 113491072
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-diethoxypropan-2-amine
CID 79495382
2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764414
1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopropyl]ethanamine
CID 106797396
4-[[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114953005
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine
CID 79411894
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1,1-dimethoxypropan-2-amine
CID 79492047
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 104998793
[3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine
CID 105264979

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methoxyoxan-4-yl)ethanamine?
The IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methoxyoxan-4-yl)ethanamine (CID 116764431) is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methoxyoxan-4-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methoxyoxan-4-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methoxyoxan-4-yl)ethanamine is CCn1nc(C)c(Cl)c1CC(N)C1(OC)CCOCC1.
What is the InChIKey of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methoxyoxan-4-yl)ethanamine?
The InChIKey is GQMNPBWEJVUKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O2/c1-4-18-11(13(15)10(2)17-18)9-12(16)14(19-3)5-7-20-8-6-14/h12H,4-9,16H2,1-3H3.
What are the key properties of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methoxyoxan-4-yl)ethanamine?
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methoxyoxan-4-yl)ethanamine has a molecular weight of 301.82 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methoxyoxan-4-yl)ethanamine is sourced from PubChem (CID 116764431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).