1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine

C14H27N3O — CID 103024969

IUPAC1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)c1cnn(CC)c1
InChIInChI=1S/C14H27N3O/c1-6-8-15-13(9-14(3,4)18-5)12-10-16-17(7-2)11-12/h10-11,13,15H,6-9H2,1-5H3
InChIKeyZLKAVQAQBBZCQJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.76
Rot. Bonds8

About 1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine

1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine (PubChem CID 103024969) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
PubChem CID103024969
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)c1cnn(CC)c1
InChIInChI=1S/C14H27N3O/c1-6-8-15-13(9-14(3,4)18-5)12-10-16-17(7-2)11-12/h10-11,13,15H,6-9H2,1-5H3
InChIKeyZLKAVQAQBBZCQJ-UHFFFAOYSA-N
XLogP2.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.76
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
N-ethyl-1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine
CID 103024968
4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 103024991

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine (CID 103024969) is 1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)(C)OC)c1cnn(CC)c1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The InChIKey is ZLKAVQAQBBZCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-6-8-15-13(9-14(3,4)18-5)12-10-16-17(7-2)11-12/h10-11,13,15H,6-9H2,1-5H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 103024969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).