3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N,N-dimethylpropanamide

C11H21N5O — CID 66014618

IUPAC3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N,N-dimethylpropanamide
SMILESCCc1nn(C)c(NCCC(=O)N(C)C)c1N
InChIInChI=1S/C11H21N5O/c1-5-8-10(12)11(16(4)14-8)13-7-6-9(17)15(2)3/h13H,5-7,12H2,1-4H3
InChIKeySAYVMRQRNXEIHB-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.45
Rot. Bonds5

About 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N,N-dimethylpropanamide

3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N,N-dimethylpropanamide (PubChem CID 66014618) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N,N-dimethylpropanamide
PubChem CID66014618
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N,N-dimethylpropanamide
SMILESCCc1nn(C)c(NCCC(=O)N(C)C)c1N
InChIInChI=1S/C11H21N5O/c1-5-8-10(12)11(16(4)14-8)13-7-6-9(17)15(2)3/h13H,5-7,12H2,1-4H3
InChIKeySAYVMRQRNXEIHB-UHFFFAOYSA-N
XLogP0.45
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N,N-dimethylpropanamide (CID 66014618) is 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N,N-dimethylpropanamide is CCc1nn(C)c(NCCC(=O)N(C)C)c1N.
What is the InChIKey of 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is SAYVMRQRNXEIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-5-8-10(12)11(16(4)14-8)13-7-6-9(17)15(2)3/h13H,5-7,12H2,1-4H3.
What are the key properties of 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N,N-dimethylpropanamide?
3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 239.32 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 66014618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).