4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide

C11H20N4O — CID 65359220

IUPAC4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide
SMILESCCC(CC)NC(=O)c1nn(CC)cc1N
InChIInChI=1S/C11H20N4O/c1-4-8(5-2)13-11(16)10-9(12)7-15(6-3)14-10/h7-8H,4-6,12H2,1-3H3,(H,13,16)
InChIKeyVWFSXWPXPKGERB-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.40
Rot. Bonds5

About 4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide

4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide (PubChem CID 65359220) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide
PubChem CID65359220
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide
SMILESCCC(CC)NC(=O)c1nn(CC)cc1N
InChIInChI=1S/C11H20N4O/c1-4-8(5-2)13-11(16)10-9(12)7-15(6-3)14-10/h7-8H,4-6,12H2,1-3H3,(H,13,16)
InChIKeyVWFSXWPXPKGERB-UHFFFAOYSA-N
XLogP1.40
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide (CID 65359220) is 4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide is CCC(CC)NC(=O)c1nn(CC)cc1N.
What is the InChIKey of 4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide?
The InChIKey is VWFSXWPXPKGERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-8(5-2)13-11(16)10-9(12)7-15(6-3)14-10/h7-8H,4-6,12H2,1-3H3,(H,13,16).
What are the key properties of 4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide?
4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 65359220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).