3-ethyl-5-N-(furan-2-ylmethyl)-5-N,1-dimethylpyrazole-4,5-diamine

C12H18N4O — CID 66014982

IUPAC3-ethyl-5-N-(furan-2-ylmethyl)-5-N,1-dimethylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(N(C)Cc2ccco2)c1N
InChIInChI=1S/C12H18N4O/c1-4-10-11(13)12(16(3)14-10)15(2)8-9-6-5-7-17-9/h5-7H,4,8,13H2,1-3H3
InChIKeyCHJOGXPDIAQUGW-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.79
Rot. Bonds4

About 3-ethyl-5-N-(furan-2-ylmethyl)-5-N,1-dimethylpyrazole-4,5-diamine

3-ethyl-5-N-(furan-2-ylmethyl)-5-N,1-dimethylpyrazole-4,5-diamine (PubChem CID 66014982) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-ethyl-5-N-(furan-2-ylmethyl)-5-N,1-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name3-ethyl-5-N-(furan-2-ylmethyl)-5-N,1-dimethylpyrazole-4,5-diamine
PubChem CID66014982
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name3-ethyl-5-N-(furan-2-ylmethyl)-5-N,1-dimethylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(N(C)Cc2ccco2)c1N
InChIInChI=1S/C12H18N4O/c1-4-10-11(13)12(16(3)14-10)15(2)8-9-6-5-7-17-9/h5-7H,4,8,13H2,1-3H3
InChIKeyCHJOGXPDIAQUGW-UHFFFAOYSA-N
XLogP1.79
TPSA60.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-N-(furan-2-ylmethyl)-5-N,1-dimethylpyrazole-4,5-diamine?
The IUPAC name of 3-ethyl-5-N-(furan-2-ylmethyl)-5-N,1-dimethylpyrazole-4,5-diamine (CID 66014982) is 3-ethyl-5-N-(furan-2-ylmethyl)-5-N,1-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 3-ethyl-5-N-(furan-2-ylmethyl)-5-N,1-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 3-ethyl-5-N-(furan-2-ylmethyl)-5-N,1-dimethylpyrazole-4,5-diamine is CCc1nn(C)c(N(C)Cc2ccco2)c1N.
What is the InChIKey of 3-ethyl-5-N-(furan-2-ylmethyl)-5-N,1-dimethylpyrazole-4,5-diamine?
The InChIKey is CHJOGXPDIAQUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-4-10-11(13)12(16(3)14-10)15(2)8-9-6-5-7-17-9/h5-7H,4,8,13H2,1-3H3.
What are the key properties of 3-ethyl-5-N-(furan-2-ylmethyl)-5-N,1-dimethylpyrazole-4,5-diamine?
3-ethyl-5-N-(furan-2-ylmethyl)-5-N,1-dimethylpyrazole-4,5-diamine has a molecular weight of 234.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-N-(furan-2-ylmethyl)-5-N,1-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 66014982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).