N-(2-ethyloxan-4-yl)-5-methoxy-1-methylpyrazol-3-amine

C12H21N3O2 — CID 114255689

IUPACN-(2-ethyloxan-4-yl)-5-methoxy-1-methylpyrazol-3-amine
SMILESCCC1CC(Nc2cc(OC)n(C)n2)CCO1
InChIInChI=1S/C12H21N3O2/c1-4-10-7-9(5-6-17-10)13-11-8-12(16-3)15(2)14-11/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyAOZVAELUCKEEPR-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.80
Rot. Bonds4

About N-(2-ethyloxan-4-yl)-5-methoxy-1-methylpyrazol-3-amine

N-(2-ethyloxan-4-yl)-5-methoxy-1-methylpyrazol-3-amine (PubChem CID 114255689) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2-ethyloxan-4-yl)-5-methoxy-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-(2-ethyloxan-4-yl)-5-methoxy-1-methylpyrazol-3-amine
PubChem CID114255689
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(2-ethyloxan-4-yl)-5-methoxy-1-methylpyrazol-3-amine
SMILESCCC1CC(Nc2cc(OC)n(C)n2)CCO1
InChIInChI=1S/C12H21N3O2/c1-4-10-7-9(5-6-17-10)13-11-8-12(16-3)15(2)14-11/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyAOZVAELUCKEEPR-UHFFFAOYSA-N
XLogP1.80
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]oxan-4-amine
CID 80683143
2-ethyl-N-methoxyoxan-4-amine
CID 82706412
N-(2,5-difluoro-4-methylphenyl)-2-ethyloxan-4-amine
CID 103585048
N-[2-(aminomethyl)cyclohexyl]-5-methoxy-1-methylpyrazol-3-amine
CID 114255669
5-methoxy-1-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-3-amine
CID 114255682
N-(4-bromo-3-chlorophenyl)-2-ethyloxan-4-amine
CID 107619416
2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxan-4-amine
CID 106395238
4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexan-1-ol
CID 106127626
[3-[[(2-ethyloxan-4-yl)amino]methyl]phenyl]methanol
CID 107229792
2-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxan-4-amine
CID 106396763
5-methoxy-1-methyl-N-(2-piperidin-4-ylethyl)pyrazol-3-amine
CID 114256042
2-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]oxan-4-amine
CID 81347446

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyloxan-4-yl)-5-methoxy-1-methylpyrazol-3-amine?
The IUPAC name of N-(2-ethyloxan-4-yl)-5-methoxy-1-methylpyrazol-3-amine (CID 114255689) is N-(2-ethyloxan-4-yl)-5-methoxy-1-methylpyrazol-3-amine.
What is the SMILES notation for N-(2-ethyloxan-4-yl)-5-methoxy-1-methylpyrazol-3-amine?
The canonical SMILES for N-(2-ethyloxan-4-yl)-5-methoxy-1-methylpyrazol-3-amine is CCC1CC(Nc2cc(OC)n(C)n2)CCO1.
What is the InChIKey of N-(2-ethyloxan-4-yl)-5-methoxy-1-methylpyrazol-3-amine?
The InChIKey is AOZVAELUCKEEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-10-7-9(5-6-17-10)13-11-8-12(16-3)15(2)14-11/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of N-(2-ethyloxan-4-yl)-5-methoxy-1-methylpyrazol-3-amine?
N-(2-ethyloxan-4-yl)-5-methoxy-1-methylpyrazol-3-amine has a molecular weight of 239.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyloxan-4-yl)-5-methoxy-1-methylpyrazol-3-amine is sourced from PubChem (CID 114255689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).