bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;4-methoxy-1-methyl-5-phenylpyrazole-3-carboxylic acid;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone

C25H57N4O5P27 — CID 161465389

IUPACbis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;4-methoxy-1-methyl-5-phenylpyrazole-3-carboxylic acid;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone
SMILESCOc1c(C(=O)O)nn(C)c1-c1ccccc1.COc1c(C(C)=O)nn(C)c1-c1ccccc1.PP(P)P(P(P)P)P(P(P)P)P(P)P.PPP(P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C13H14N2O2.C12H12N2O3.H16P14.H15P13/c1-9(16)11-13(17-3)12(15(2)14-11)10-7-5-4-6-8-10;1-14-10(8-6-4-3-5-7-8)11(17-2)9(13-14)12(15)16;1-9(2)13(10(3)4)14(11(5)6)12(7)8;1-8-12(9(2)3)13(10(4)5)11(6)7/h4-8H,1-3H3;3-7H,1-2H3,(H,15,16);1-8H2;8H,1-7H2
InChIKeyWCIZEZBQNGJSIZ-UHFFFAOYSA-N
MW1330.05 g/mol
LogP19.05
Rot. Bonds16

About bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;4-methoxy-1-methyl-5-phenylpyrazole-3-carboxylic acid;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone

bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;4-methoxy-1-methyl-5-phenylpyrazole-3-carboxylic acid;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone (PubChem CID 161465389) has the molecular formula C25H57N4O5P27 and a molecular weight of 1330.05 g/mol. Its IUPAC name is bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;4-methoxy-1-methyl-5-phenylpyrazole-3-carboxylic acid;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Namebis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;4-methoxy-1-methyl-5-phenylpyrazole-3-carboxylic acid;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone
PubChem CID161465389
Molecular FormulaC25H57N4O5P27
Molecular Weight1330.05 g/mol
Exact Mass1329.72
IUPAC Namebis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;4-methoxy-1-methyl-5-phenylpyrazole-3-carboxylic acid;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone
SMILESCOc1c(C(=O)O)nn(C)c1-c1ccccc1.COc1c(C(C)=O)nn(C)c1-c1ccccc1.PP(P)P(P(P)P)P(P(P)P)P(P)P.PPP(P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C13H14N2O2.C12H12N2O3.H16P14.H15P13/c1-9(16)11-13(17-3)12(15(2)14-11)10-7-5-4-6-8-10;1-14-10(8-6-4-3-5-7-8)11(17-2)9(13-14)12(15)16;1-9(2)13(10(3)4)14(11(5)6)12(7)8;1-8-12(9(2)3)13(10(4)5)11(6)7/h4-8H,1-3H3;3-7H,1-2H3,(H,15,16);1-8H2;8H,1-7H2
InChIKeyWCIZEZBQNGJSIZ-UHFFFAOYSA-N
XLogP19.05
TPSA108.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001330.05
LogP ≤ 519.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;4-methoxy-1-methyl-5-phenylpyrazole-3-carboxylic acid;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone 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 bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;4-methoxy-1-methyl-5-phenylpyrazole-3-carboxylic acid;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone?
The IUPAC name of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;4-methoxy-1-methyl-5-phenylpyrazole-3-carboxylic acid;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone (CID 161465389) is bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;4-methoxy-1-methyl-5-phenylpyrazole-3-carboxylic acid;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone.
What is the SMILES notation for bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;4-methoxy-1-methyl-5-phenylpyrazole-3-carboxylic acid;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone?
The canonical SMILES for bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;4-methoxy-1-methyl-5-phenylpyrazole-3-carboxylic acid;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone is COc1c(C(=O)O)nn(C)c1-c1ccccc1.COc1c(C(C)=O)nn(C)c1-c1ccccc1.PP(P)P(P(P)P)P(P(P)P)P(P)P.PPP(P(P)P)P(P(P)P)P(P)P.
What is the InChIKey of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;4-methoxy-1-methyl-5-phenylpyrazole-3-carboxylic acid;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone?
The InChIKey is WCIZEZBQNGJSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2.C12H12N2O3.H16P14.H15P13/c1-9(16)11-13(17-3)12(15(2)14-11)10-7-5-4-6-8-10;1-14-10(8-6-4-3-5-7-8)11(17-2)9(13-14)12(15)16;1-9(2)13(10(3)4)14(11(5)6)12(7)8;1-8-12(9(2)3)13(10(4)5)11(6)7/h4-8H,1-3H3;3-7H,1-2H3,(H,15,16);1-8H2;8H,1-7H2.
What are the key properties of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;4-methoxy-1-methyl-5-phenylpyrazole-3-carboxylic acid;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone?
bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;4-methoxy-1-methyl-5-phenylpyrazole-3-carboxylic acid;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone has a molecular weight of 1330.05 g/mol, XLogP of 19.05, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;4-methoxy-1-methyl-5-phenylpyrazole-3-carboxylic acid;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone is sourced from PubChem (CID 161465389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).