5-cyclopropyl-N-(3-phenothiazin-10-ylpropyl)-1H-pyrazole-3-carboxamide

C22H22N4OS — CID 55652720

IUPAC5-cyclopropyl-N-(3-phenothiazin-10-ylpropyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCCCN1c2ccccc2Sc2ccccc21)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C22H22N4OS/c27-22(17-14-16(24-25-17)15-10-11-15)23-12-5-13-26-18-6-1-3-8-20(18)28-21-9-4-2-7-19(21)26/h1-4,6-9,14-15H,5,10-13H2,(H,23,27)(H,24,25)
InChIKeyFFYXFNWGRNECLX-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.71
Rot. Bonds6

About 5-cyclopropyl-N-(3-phenothiazin-10-ylpropyl)-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-(3-phenothiazin-10-ylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 55652720) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is 5-cyclopropyl-N-(3-phenothiazin-10-ylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(3-phenothiazin-10-ylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID55652720
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC Name5-cyclopropyl-N-(3-phenothiazin-10-ylpropyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCCCN1c2ccccc2Sc2ccccc21)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C22H22N4OS/c27-22(17-14-16(24-25-17)15-10-11-15)23-12-5-13-26-18-6-1-3-8-20(18)28-21-9-4-2-7-19(21)26/h1-4,6-9,14-15H,5,10-13H2,(H,23,27)(H,24,25)
InChIKeyFFYXFNWGRNECLX-UHFFFAOYSA-N
XLogP4.71
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(3-phenothiazin-10-ylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(3-phenothiazin-10-ylpropyl)-1H-pyrazole-3-carboxamide (CID 55652720) is 5-cyclopropyl-N-(3-phenothiazin-10-ylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(3-phenothiazin-10-ylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(3-phenothiazin-10-ylpropyl)-1H-pyrazole-3-carboxamide is O=C(NCCCN1c2ccccc2Sc2ccccc21)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-(3-phenothiazin-10-ylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is FFYXFNWGRNECLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS/c27-22(17-14-16(24-25-17)15-10-11-15)23-12-5-13-26-18-6-1-3-8-20(18)28-21-9-4-2-7-19(21)26/h1-4,6-9,14-15H,5,10-13H2,(H,23,27)(H,24,25).
What are the key properties of 5-cyclopropyl-N-(3-phenothiazin-10-ylpropyl)-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-(3-phenothiazin-10-ylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(3-phenothiazin-10-ylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55652720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).