5-[2-(diethylamino)ethoxy]-1-methyl-3-propan-2-ylpyrazol-4-amine

C13H26N4O — CID 66011388

IUPAC5-[2-(diethylamino)ethoxy]-1-methyl-3-propan-2-ylpyrazol-4-amine
SMILESCCN(CC)CCOc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C13H26N4O/c1-6-17(7-2)8-9-18-13-11(14)12(10(3)4)15-16(13)5/h10H,6-9,14H2,1-5H3
InChIKeySCWAFUPTMQPDDM-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.85
Rot. Bonds7

About 5-[2-(diethylamino)ethoxy]-1-methyl-3-propan-2-ylpyrazol-4-amine

5-[2-(diethylamino)ethoxy]-1-methyl-3-propan-2-ylpyrazol-4-amine (PubChem CID 66011388) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 5-[2-(diethylamino)ethoxy]-1-methyl-3-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name5-[2-(diethylamino)ethoxy]-1-methyl-3-propan-2-ylpyrazol-4-amine
PubChem CID66011388
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name5-[2-(diethylamino)ethoxy]-1-methyl-3-propan-2-ylpyrazol-4-amine
SMILESCCN(CC)CCOc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C13H26N4O/c1-6-17(7-2)8-9-18-13-11(14)12(10(3)4)15-16(13)5/h10H,6-9,14H2,1-5H3
InChIKeySCWAFUPTMQPDDM-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(diethylamino)ethoxy]-1-methyl-3-propan-2-ylpyrazol-4-amine?
The IUPAC name of 5-[2-(diethylamino)ethoxy]-1-methyl-3-propan-2-ylpyrazol-4-amine (CID 66011388) is 5-[2-(diethylamino)ethoxy]-1-methyl-3-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 5-[2-(diethylamino)ethoxy]-1-methyl-3-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 5-[2-(diethylamino)ethoxy]-1-methyl-3-propan-2-ylpyrazol-4-amine is CCN(CC)CCOc1c(N)c(C(C)C)nn1C.
What is the InChIKey of 5-[2-(diethylamino)ethoxy]-1-methyl-3-propan-2-ylpyrazol-4-amine?
The InChIKey is SCWAFUPTMQPDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-6-17(7-2)8-9-18-13-11(14)12(10(3)4)15-16(13)5/h10H,6-9,14H2,1-5H3.
What are the key properties of 5-[2-(diethylamino)ethoxy]-1-methyl-3-propan-2-ylpyrazol-4-amine?
5-[2-(diethylamino)ethoxy]-1-methyl-3-propan-2-ylpyrazol-4-amine has a molecular weight of 254.38 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)ethoxy]-1-methyl-3-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 66011388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).