5-N-[3-(dimethylamino)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine

C14H21N5 — CID 115376098

IUPAC5-N-[3-(dimethylamino)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(Nc2cccc(N(C)C)c2)c1N
InChIInChI=1S/C14H21N5/c1-5-12-13(15)14(19(4)17-12)16-10-7-6-8-11(9-10)18(2)3/h6-9,16H,5,15H2,1-4H3
InChIKeyFLWXBVHLBAMUJC-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.37
Rot. Bonds4

About 5-N-[3-(dimethylamino)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine

5-N-[3-(dimethylamino)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine (PubChem CID 115376098) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 5-N-[3-(dimethylamino)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[3-(dimethylamino)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine
PubChem CID115376098
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name5-N-[3-(dimethylamino)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(Nc2cccc(N(C)C)c2)c1N
InChIInChI=1S/C14H21N5/c1-5-12-13(15)14(19(4)17-12)16-10-7-6-8-11(9-10)18(2)3/h6-9,16H,5,15H2,1-4H3
InChIKeyFLWXBVHLBAMUJC-UHFFFAOYSA-N
XLogP2.37
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[3-(dimethylamino)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[3-(dimethylamino)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine (CID 115376098) is 5-N-[3-(dimethylamino)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[3-(dimethylamino)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[3-(dimethylamino)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine is CCc1nn(C)c(Nc2cccc(N(C)C)c2)c1N.
What is the InChIKey of 5-N-[3-(dimethylamino)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
The InChIKey is FLWXBVHLBAMUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-5-12-13(15)14(19(4)17-12)16-10-7-6-8-11(9-10)18(2)3/h6-9,16H,5,15H2,1-4H3.
What are the key properties of 5-N-[3-(dimethylamino)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
5-N-[3-(dimethylamino)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine has a molecular weight of 259.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-(dimethylamino)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine is sourced from PubChem (CID 115376098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).