N-ethyl-1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine

C13H25N3O — CID 103024968

IUPACN-ethyl-1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)(C)OC)c1cnn(CC)c1
InChIInChI=1S/C13H25N3O/c1-6-14-12(8-13(3,4)17-5)11-9-15-16(7-2)10-11/h9-10,12,14H,6-8H2,1-5H3
InChIKeyMRXGVABXKZHNRW-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.37
Rot. Bonds7

About N-ethyl-1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine

N-ethyl-1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine (PubChem CID 103024968) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine
PubChem CID103024968
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-ethyl-1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)(C)OC)c1cnn(CC)c1
InChIInChI=1S/C13H25N3O/c1-6-14-12(8-13(3,4)17-5)11-9-15-16(7-2)10-11/h9-10,12,14H,6-8H2,1-5H3
InChIKeyMRXGVABXKZHNRW-UHFFFAOYSA-N
XLogP2.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 25248267
3-amino-2-((1-methyl-1H-pyrazol-4-yl)methyl)propan-1-ol dihydrochloride
CID 91662899
4-(1-methyl-1H-pyrazol-4-yl)butan-2-amine
CID 62127805
rac-((3R,4S)-4-(1-(propan-2-yl)-1H-pyrazol-4-yl)pyrrolidin-3-yl)methanol
CID 119031216
rac-4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methyl-1H-pyrazole dihydrochloride
CID 122155814
N-ethyl-1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103029932
1-(1-ethyl-1H-pyrazol-4-yl)propan-1-amine
CID 23005819
3-Amino-2-[(1-methyl-1H-pyrazol-4-yl)methyl]propan-1-ol
CID 43199852
2-amino-3-(1-methyl-1H-pyrazol-4-yl)propan-1-ol
CID 55254473
1-(1-Ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine
CID 103024967
1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103024969
4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 103024991

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of N-ethyl-1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine (CID 103024968) is N-ethyl-1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine is CCNC(CC(C)(C)OC)c1cnn(CC)c1.
What is the InChIKey of N-ethyl-1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine?
The InChIKey is MRXGVABXKZHNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-14-12(8-13(3,4)17-5)11-9-15-16(7-2)10-11/h9-10,12,14H,6-8H2,1-5H3.
What are the key properties of N-ethyl-1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine?
N-ethyl-1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103024968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).