1-[2-(dimethylamino)ethyl]-5-N-ethylpyrazole-4,5-diamine

C9H19N5 — CID 58914028

IUPAC1-[2-(dimethylamino)ethyl]-5-N-ethylpyrazole-4,5-diamine
SMILESCCNc1c(N)cnn1CCN(C)C
InChIInChI=1S/C9H19N5/c1-4-11-9-8(10)7-12-14(9)6-5-13(2)3/h7,11H,4-6,10H2,1-3H3
InChIKeyIWTYMDKUMNISAG-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.46
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-5-N-ethylpyrazole-4,5-diamine

1-[2-(dimethylamino)ethyl]-5-N-ethylpyrazole-4,5-diamine (PubChem CID 58914028) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-5-N-ethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-5-N-ethylpyrazole-4,5-diamine
PubChem CID58914028
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name1-[2-(dimethylamino)ethyl]-5-N-ethylpyrazole-4,5-diamine
SMILESCCNc1c(N)cnn1CCN(C)C
InChIInChI=1S/C9H19N5/c1-4-11-9-8(10)7-12-14(9)6-5-13(2)3/h7,11H,4-6,10H2,1-3H3
InChIKeyIWTYMDKUMNISAG-UHFFFAOYSA-N
XLogP0.46
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-5-N-ethylpyrazole-4,5-diamine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-5-N-ethylpyrazole-4,5-diamine (CID 58914028) is 1-[2-(dimethylamino)ethyl]-5-N-ethylpyrazole-4,5-diamine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-5-N-ethylpyrazole-4,5-diamine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-5-N-ethylpyrazole-4,5-diamine is CCNc1c(N)cnn1CCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-5-N-ethylpyrazole-4,5-diamine?
The InChIKey is IWTYMDKUMNISAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-4-11-9-8(10)7-12-14(9)6-5-13(2)3/h7,11H,4-6,10H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-5-N-ethylpyrazole-4,5-diamine?
1-[2-(dimethylamino)ethyl]-5-N-ethylpyrazole-4,5-diamine has a molecular weight of 197.29 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-5-N-ethylpyrazole-4,5-diamine is sourced from PubChem (CID 58914028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).