2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-ethylpropanamide

C11H17N5O — CID 63757679

IUPAC2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1c(C#N)c(C)nn1C
InChIInChI=1S/C11H17N5O/c1-5-13-11(17)8(3)14-10-9(6-12)7(2)15-16(10)4/h8,14H,5H2,1-4H3,(H,13,17)
InChIKeyXTTWRFMSOCMMMU-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.54
Rot. Bonds4

About 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-ethylpropanamide

2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-ethylpropanamide (PubChem CID 63757679) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-ethylpropanamide
PubChem CID63757679
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1c(C#N)c(C)nn1C
InChIInChI=1S/C11H17N5O/c1-5-13-11(17)8(3)14-10-9(6-12)7(2)15-16(10)4/h8,14H,5H2,1-4H3,(H,13,17)
InChIKeyXTTWRFMSOCMMMU-UHFFFAOYSA-N
XLogP0.54
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-ethylpropanamide (CID 63757679) is 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-ethylpropanamide is CCNC(=O)C(C)Nc1c(C#N)c(C)nn1C.
What is the InChIKey of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-ethylpropanamide?
The InChIKey is XTTWRFMSOCMMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-5-13-11(17)8(3)14-10-9(6-12)7(2)15-16(10)4/h8,14H,5H2,1-4H3,(H,13,17).
What are the key properties of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-ethylpropanamide?
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-ethylpropanamide has a molecular weight of 235.29 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-ethylpropanamide is sourced from PubChem (CID 63757679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).