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

C15H31N5 — CID 66011618

IUPAC5-N-[5-(diethylamino)pentan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCN(CC)CCCC(C)Nc1c(N)c(C)nn1CC
InChIInChI=1S/C15H31N5/c1-6-19(7-2)11-9-10-12(4)17-15-14(16)13(5)18-20(15)8-3/h12,17H,6-11,16H2,1-5H3
InChIKeyCNMXXZRVWZREFF-UHFFFAOYSA-N
MW281.45 g/mol
LogP2.72
Rot. Bonds9

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

5-N-[5-(diethylamino)pentan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine (PubChem CID 66011618) has the molecular formula C15H31N5 and a molecular weight of 281.45 g/mol. Its IUPAC name is 5-N-[5-(diethylamino)pentan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[5-(diethylamino)pentan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine
PubChem CID66011618
Molecular FormulaC15H31N5
Molecular Weight281.45 g/mol
Exact Mass281.26
IUPAC Name5-N-[5-(diethylamino)pentan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCN(CC)CCCC(C)Nc1c(N)c(C)nn1CC
InChIInChI=1S/C15H31N5/c1-6-19(7-2)11-9-10-12(4)17-15-14(16)13(5)18-20(15)8-3/h12,17H,6-11,16H2,1-5H3
InChIKeyCNMXXZRVWZREFF-UHFFFAOYSA-N
XLogP2.72
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[5-(diethylamino)pentan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[5-(diethylamino)pentan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine (CID 66011618) is 5-N-[5-(diethylamino)pentan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[5-(diethylamino)pentan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[5-(diethylamino)pentan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine is CCN(CC)CCCC(C)Nc1c(N)c(C)nn1CC.
What is the InChIKey of 5-N-[5-(diethylamino)pentan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine?
The InChIKey is CNMXXZRVWZREFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5/c1-6-19(7-2)11-9-10-12(4)17-15-14(16)13(5)18-20(15)8-3/h12,17H,6-11,16H2,1-5H3.
What are the key properties of 5-N-[5-(diethylamino)pentan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine?
5-N-[5-(diethylamino)pentan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine has a molecular weight of 281.45 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[5-(diethylamino)pentan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66011618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).