2-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrazol-4-yl)ethanamine

C12H23N3O — CID 105103681

IUPAC2-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(N)COC(C)(C)C)cn1
InChIInChI=1S/C12H23N3O/c1-5-6-15-8-10(7-14-15)11(13)9-16-12(2,3)4/h7-8,11H,5-6,9,13H2,1-4H3
InChIKeyCXKWEWGXOQEWCY-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.11
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrazol-4-yl)ethanamine

2-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrazol-4-yl)ethanamine (PubChem CID 105103681) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrazol-4-yl)ethanamine
PubChem CID105103681
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(N)COC(C)(C)C)cn1
InChIInChI=1S/C12H23N3O/c1-5-6-15-8-10(7-14-15)11(13)9-16-12(2,3)4/h7-8,11H,5-6,9,13H2,1-4H3
InChIKeyCXKWEWGXOQEWCY-UHFFFAOYSA-N
XLogP2.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 103024939
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 115807994
2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65127516
2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65132226
2-butan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65136012
1-(1-butylpyrazol-4-yl)propan-1-amine
CID 62731708
[2,2-dimethyl-1-(1-propylpyrazol-4-yl)propyl]hydrazine
CID 105203000
2-methoxy-1-(1-propylpyrazol-4-yl)propan-1-amine
CID 79617281
methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate
CID 103572127
2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 116726066
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 114981636
2-amino-2-(1-propylpyrazol-4-yl)acetamide
CID 103572056

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrazol-4-yl)ethanamine (CID 105103681) is 2-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrazol-4-yl)ethanamine is CCCn1cc(C(N)COC(C)(C)C)cn1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrazol-4-yl)ethanamine?
The InChIKey is CXKWEWGXOQEWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-6-15-8-10(7-14-15)11(13)9-16-12(2,3)4/h7-8,11H,5-6,9,13H2,1-4H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrazol-4-yl)ethanamine?
2-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrazol-4-yl)ethanamine has a molecular weight of 225.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105103681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).