1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylhexan-3-amine

C13H25N3O — CID 114664174

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylhexan-3-amine
SMILESCCCC(CCc1c(OC)cnn1CC)NC
InChIInChI=1S/C13H25N3O/c1-5-7-11(14-3)8-9-12-13(17-4)10-15-16(12)6-2/h10-11,14H,5-9H2,1-4H3
InChIKeyLSSZJHXCZWFCEJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.23
Rot. Bonds8

About 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylhexan-3-amine

1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylhexan-3-amine (PubChem CID 114664174) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylhexan-3-amine.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylhexan-3-amine
PubChem CID114664174
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylhexan-3-amine
SMILESCCCC(CCc1c(OC)cnn1CC)NC
InChIInChI=1S/C13H25N3O/c1-5-7-11(14-3)8-9-12-13(17-4)10-15-16(12)6-2/h10-11,14H,5-9H2,1-4H3
InChIKeyLSSZJHXCZWFCEJ-UHFFFAOYSA-N
XLogP2.23
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylpentan-3-amine
CID 114664255
2-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 114662423
N-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-2-amine
CID 114652111
3-(1-ethyl-4-methoxypyrazol-5-yl)-N,2-dimethylpropan-1-amine
CID 114664456
2-(1-ethyl-4-methoxypyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 114662835
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine
CID 105047878
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylhexan-3-amine
CID 114664173
1-(4-methoxy-1-propylpyrazol-5-yl)-4-methylpentan-3-amine
CID 114663877
5-(3-bromo-4-methylpentyl)-4-methoxy-1-propylpyrazole
CID 114665454
1-(4-methoxy-1-propylpyrazol-5-yl)-4,4-dimethylpentan-3-ol
CID 114665013
5-(3-bromohexyl)-4-methoxy-1-propan-2-ylpyrazole
CID 114665415
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine
CID 114648521

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylhexan-3-amine?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylhexan-3-amine (CID 114664174) is 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylhexan-3-amine.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylhexan-3-amine?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylhexan-3-amine is CCCC(CCc1c(OC)cnn1CC)NC.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylhexan-3-amine?
The InChIKey is LSSZJHXCZWFCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-7-11(14-3)8-9-12-13(17-4)10-15-16(12)6-2/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylhexan-3-amine?
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylhexan-3-amine has a molecular weight of 239.36 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylhexan-3-amine is sourced from PubChem (CID 114664174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).