4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dimethylpyrazol-5-amine

C13H26N4O — CID 63785849

IUPAC4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dimethylpyrazol-5-amine
SMILESCCN(c1c(CCN)c(C)nn1C)C(C)COC
InChIInChI=1S/C13H26N4O/c1-6-17(10(2)9-18-5)13-12(7-8-14)11(3)15-16(13)4/h10H,6-9,14H2,1-5H3
InChIKeyDOEFZXXSONOTFN-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.09
Rot. Bonds7

About 4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dimethylpyrazol-5-amine

4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dimethylpyrazol-5-amine (PubChem CID 63785849) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dimethylpyrazol-5-amine
PubChem CID63785849
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dimethylpyrazol-5-amine
SMILESCCN(c1c(CCN)c(C)nn1C)C(C)COC
InChIInChI=1S/C13H26N4O/c1-6-17(10(2)9-18-5)13-12(7-8-14)11(3)15-16(13)4/h10H,6-9,14H2,1-5H3
InChIKeyDOEFZXXSONOTFN-UHFFFAOYSA-N
XLogP1.09
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dimethylpyrazol-5-amine (CID 63785849) is 4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dimethylpyrazol-5-amine is CCN(c1c(CCN)c(C)nn1C)C(C)COC.
What is the InChIKey of 4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dimethylpyrazol-5-amine?
The InChIKey is DOEFZXXSONOTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-6-17(10(2)9-18-5)13-12(7-8-14)11(3)15-16(13)4/h10H,6-9,14H2,1-5H3.
What are the key properties of 4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dimethylpyrazol-5-amine?
4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dimethylpyrazol-5-amine has a molecular weight of 254.38 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 63785849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).