4-amino-N-butyl-1-propylpyrazole-5-carboxamide

C11H20N4O — CID 132586632

IUPAC4-amino-N-butyl-1-propylpyrazole-5-carboxamide
SMILESCCCCNC(=O)c1c(N)cnn1CCC
InChIInChI=1S/C11H20N4O/c1-3-5-6-13-11(16)10-9(12)8-14-15(10)7-4-2/h8H,3-7,12H2,1-2H3,(H,13,16)
InChIKeyPEWVOZZUJLSXCP-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.41
Rot. Bonds6

About 4-amino-N-butyl-1-propylpyrazole-5-carboxamide

4-amino-N-butyl-1-propylpyrazole-5-carboxamide (PubChem CID 132586632) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-amino-N-butyl-1-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-1-propylpyrazole-5-carboxamide
PubChem CID132586632
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-amino-N-butyl-1-propylpyrazole-5-carboxamide
SMILESCCCCNC(=O)c1c(N)cnn1CCC
InChIInChI=1S/C11H20N4O/c1-3-5-6-13-11(16)10-9(12)8-14-15(10)7-4-2/h8H,3-7,12H2,1-2H3,(H,13,16)
InChIKeyPEWVOZZUJLSXCP-UHFFFAOYSA-N
XLogP1.41
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-1-propylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-butyl-1-propylpyrazole-5-carboxamide (CID 132586632) is 4-amino-N-butyl-1-propylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-1-propylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-butyl-1-propylpyrazole-5-carboxamide is CCCCNC(=O)c1c(N)cnn1CCC.
What is the InChIKey of 4-amino-N-butyl-1-propylpyrazole-5-carboxamide?
The InChIKey is PEWVOZZUJLSXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-5-6-13-11(16)10-9(12)8-14-15(10)7-4-2/h8H,3-7,12H2,1-2H3,(H,13,16).
What are the key properties of 4-amino-N-butyl-1-propylpyrazole-5-carboxamide?
4-amino-N-butyl-1-propylpyrazole-5-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-1-propylpyrazole-5-carboxamide is sourced from PubChem (CID 132586632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).