1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine

C15H24N4O — CID 115989848

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
SMILESCCc1nn(C)cc1C(CN)N(C)Cc1ccc(C)o1
InChIInChI=1S/C15H24N4O/c1-5-14-13(10-19(4)17-14)15(8-16)18(3)9-12-7-6-11(2)20-12/h6-7,10,15H,5,8-9,16H2,1-4H3
InChIKeyXHJCYDBWUXANKM-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.02
Rot. Bonds6

About 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine

1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine (PubChem CID 115989848) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
PubChem CID115989848
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
SMILESCCc1nn(C)cc1C(CN)N(C)Cc1ccc(C)o1
InChIInChI=1S/C15H24N4O/c1-5-14-13(10-19(4)17-14)15(8-16)18(3)9-12-7-6-11(2)20-12/h6-7,10,15H,5,8-9,16H2,1-4H3
InChIKeyXHJCYDBWUXANKM-UHFFFAOYSA-N
XLogP2.02
TPSA60.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 112669221
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 112669262
N-(2,2-dimethylpropyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 112669374
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-pentylethane-1,2-diamine
CID 112669268
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 115990044
N-(2-ethoxyethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 112669585
1-(furan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 63208254
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 112669289
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 115989833
1-(5-bromofuran-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526191
1-(2-cyclopropylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 79970674
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 115990041

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine (CID 115989848) is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine is CCc1nn(C)cc1C(CN)N(C)Cc1ccc(C)o1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is XHJCYDBWUXANKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-5-14-13(10-19(4)17-14)15(8-16)18(3)9-12-7-6-11(2)20-12/h6-7,10,15H,5,8-9,16H2,1-4H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 276.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 115989848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).