N,N-bis(cyclopropylphosphanyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide

C12H18F3N3O3P2S — CID 155187962

IUPACN,N-bis(cyclopropylphosphanyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide
SMILESO=S(=O)(c1ccn(CC(O)C(F)(F)F)n1)N(PC1CC1)PC1CC1
InChIInChI=1S/C12H18F3N3O3P2S/c13-12(14,15)10(19)7-17-6-5-11(16-17)24(20,21)18(22-8-1-2-8)23-9-3-4-9/h5-6,8-10,19,22-23H,1-4,7H2
InChIKeyOYIODKDWPXMTAQ-UHFFFAOYSA-N
MW403.30 g/mol
LogP2.31
Rot. Bonds8

About N,N-bis(cyclopropylphosphanyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide

N,N-bis(cyclopropylphosphanyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide (PubChem CID 155187962) has the molecular formula C12H18F3N3O3P2S and a molecular weight of 403.30 g/mol. Its IUPAC name is N,N-bis(cyclopropylphosphanyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound NameN,N-bis(cyclopropylphosphanyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide
PubChem CID155187962
Molecular FormulaC12H18F3N3O3P2S
Molecular Weight403.30 g/mol
Exact Mass403.05
IUPAC NameN,N-bis(cyclopropylphosphanyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide
SMILESO=S(=O)(c1ccn(CC(O)C(F)(F)F)n1)N(PC1CC1)PC1CC1
InChIInChI=1S/C12H18F3N3O3P2S/c13-12(14,15)10(19)7-17-6-5-11(16-17)24(20,21)18(22-8-1-2-8)23-9-3-4-9/h5-6,8-10,19,22-23H,1-4,7H2
InChIKeyOYIODKDWPXMTAQ-UHFFFAOYSA-N
XLogP2.31
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,N-bis(cyclopropylphosphanyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide 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 N,N-bis(cyclopropylphosphanyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide?
The IUPAC name of N,N-bis(cyclopropylphosphanyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide (CID 155187962) is N,N-bis(cyclopropylphosphanyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide.
What is the SMILES notation for N,N-bis(cyclopropylphosphanyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide?
The canonical SMILES for N,N-bis(cyclopropylphosphanyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide is O=S(=O)(c1ccn(CC(O)C(F)(F)F)n1)N(PC1CC1)PC1CC1.
What is the InChIKey of N,N-bis(cyclopropylphosphanyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide?
The InChIKey is OYIODKDWPXMTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O3P2S/c13-12(14,15)10(19)7-17-6-5-11(16-17)24(20,21)18(22-8-1-2-8)23-9-3-4-9/h5-6,8-10,19,22-23H,1-4,7H2.
What are the key properties of N,N-bis(cyclopropylphosphanyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide?
N,N-bis(cyclopropylphosphanyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide has a molecular weight of 403.30 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyclopropylphosphanyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 155187962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).