5-cyclopropyl-N-[(3-hydroxy-1-prop-2-enoylazetidin-3-yl)methyl]-1-propylpyrazole-4-carboxamide

C17H24N4O3 — CID 167813973

IUPAC5-cyclopropyl-N-[(3-hydroxy-1-prop-2-enoylazetidin-3-yl)methyl]-1-propylpyrazole-4-carboxamide
SMILESC=CC(=O)N1CC(O)(CNC(=O)c2cnn(CCC)c2C2CC2)C1
InChIInChI=1S/C17H24N4O3/c1-3-7-21-15(12-5-6-12)13(8-19-21)16(23)18-9-17(24)10-20(11-17)14(22)4-2/h4,8,12,24H,2-3,5-7,9-11H2,1H3,(H,18,23)
InChIKeyZAAFNTPLELTKKJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.66
Rot. Bonds7

About 5-cyclopropyl-N-[(3-hydroxy-1-prop-2-enoylazetidin-3-yl)methyl]-1-propylpyrazole-4-carboxamide

5-cyclopropyl-N-[(3-hydroxy-1-prop-2-enoylazetidin-3-yl)methyl]-1-propylpyrazole-4-carboxamide (PubChem CID 167813973) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3-hydroxy-1-prop-2-enoylazetidin-3-yl)methyl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3-hydroxy-1-prop-2-enoylazetidin-3-yl)methyl]-1-propylpyrazole-4-carboxamide
PubChem CID167813973
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name5-cyclopropyl-N-[(3-hydroxy-1-prop-2-enoylazetidin-3-yl)methyl]-1-propylpyrazole-4-carboxamide
SMILESC=CC(=O)N1CC(O)(CNC(=O)c2cnn(CCC)c2C2CC2)C1
InChIInChI=1S/C17H24N4O3/c1-3-7-21-15(12-5-6-12)13(8-19-21)16(23)18-9-17(24)10-20(11-17)14(22)4-2/h4,8,12,24H,2-3,5-7,9-11H2,1H3,(H,18,23)
InChIKeyZAAFNTPLELTKKJ-UHFFFAOYSA-N
XLogP0.66
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-cyclopropyl-N-[(3-hydroxy-1-prop-2-enoylazetidin-3-yl)methyl]-1-propylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3-hydroxy-1-prop-2-enoylazetidin-3-yl)methyl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3-hydroxy-1-prop-2-enoylazetidin-3-yl)methyl]-1-propylpyrazole-4-carboxamide (CID 167813973) is 5-cyclopropyl-N-[(3-hydroxy-1-prop-2-enoylazetidin-3-yl)methyl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3-hydroxy-1-prop-2-enoylazetidin-3-yl)methyl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3-hydroxy-1-prop-2-enoylazetidin-3-yl)methyl]-1-propylpyrazole-4-carboxamide is C=CC(=O)N1CC(O)(CNC(=O)c2cnn(CCC)c2C2CC2)C1.
What is the InChIKey of 5-cyclopropyl-N-[(3-hydroxy-1-prop-2-enoylazetidin-3-yl)methyl]-1-propylpyrazole-4-carboxamide?
The InChIKey is ZAAFNTPLELTKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-3-7-21-15(12-5-6-12)13(8-19-21)16(23)18-9-17(24)10-20(11-17)14(22)4-2/h4,8,12,24H,2-3,5-7,9-11H2,1H3,(H,18,23).
What are the key properties of 5-cyclopropyl-N-[(3-hydroxy-1-prop-2-enoylazetidin-3-yl)methyl]-1-propylpyrazole-4-carboxamide?
5-cyclopropyl-N-[(3-hydroxy-1-prop-2-enoylazetidin-3-yl)methyl]-1-propylpyrazole-4-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3-hydroxy-1-prop-2-enoylazetidin-3-yl)methyl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 167813973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).