5-N-[2-(diethylamino)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine

C12H25N5 — CID 66016551

IUPAC5-N-[2-(diethylamino)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCCN(CC)CC)c1N
InChIInChI=1S/C12H25N5/c1-5-10-11(13)12(16(4)15-10)14-8-9-17(6-2)7-3/h14H,5-9,13H2,1-4H3
InChIKeySWKZKEGQOSKJRL-UHFFFAOYSA-N
MW239.37 g/mol
LogP1.32
Rot. Bonds7

About 5-N-[2-(diethylamino)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine

5-N-[2-(diethylamino)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine (PubChem CID 66016551) has the molecular formula C12H25N5 and a molecular weight of 239.37 g/mol. Its IUPAC name is 5-N-[2-(diethylamino)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[2-(diethylamino)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine
PubChem CID66016551
Molecular FormulaC12H25N5
Molecular Weight239.37 g/mol
Exact Mass239.21
IUPAC Name5-N-[2-(diethylamino)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCCN(CC)CC)c1N
InChIInChI=1S/C12H25N5/c1-5-10-11(13)12(16(4)15-10)14-8-9-17(6-2)7-3/h14H,5-9,13H2,1-4H3
InChIKeySWKZKEGQOSKJRL-UHFFFAOYSA-N
XLogP1.32
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(diethylamino)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[2-(diethylamino)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine (CID 66016551) is 5-N-[2-(diethylamino)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[2-(diethylamino)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[2-(diethylamino)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine is CCc1nn(C)c(NCCN(CC)CC)c1N.
What is the InChIKey of 5-N-[2-(diethylamino)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
The InChIKey is SWKZKEGQOSKJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5/c1-5-10-11(13)12(16(4)15-10)14-8-9-17(6-2)7-3/h14H,5-9,13H2,1-4H3.
What are the key properties of 5-N-[2-(diethylamino)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
5-N-[2-(diethylamino)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine has a molecular weight of 239.37 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(diethylamino)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66016551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).