(3,5-dimethyl-1-phenylpyrazol-4-yl)-bis(1-ethenylimidazol-2-yl)-sulfanylidene-lambda5-phosphane

C21H21N6PS — CID 2999024

IUPAC(3,5-dimethyl-1-phenylpyrazol-4-yl)-bis(1-ethenylimidazol-2-yl)-sulfanylidene-lambda5-phosphane
SMILESC=Cn1ccnc1P(=S)(c1c(C)nn(-c2ccccc2)c1C)c1nccn1C=C
InChIInChI=1S/C21H21N6PS/c1-5-25-14-12-22-20(25)28(29,21-23-13-15-26(21)6-2)19-16(3)24-27(17(19)4)18-10-8-7-9-11-18/h5-15H,1-2H2,3-4H3
InChIKeyOWJYZVYHLGHHMK-UHFFFAOYSA-N
MW420.48 g/mol
LogP2.84
Rot. Bonds6

About (3,5-dimethyl-1-phenylpyrazol-4-yl)-bis(1-ethenylimidazol-2-yl)-sulfanylidene-lambda5-phosphane

(3,5-dimethyl-1-phenylpyrazol-4-yl)-bis(1-ethenylimidazol-2-yl)-sulfanylidene-lambda5-phosphane (PubChem CID 2999024) has the molecular formula C21H21N6PS and a molecular weight of 420.48 g/mol. Its IUPAC name is (3,5-dimethyl-1-phenylpyrazol-4-yl)-bis(1-ethenylimidazol-2-yl)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Name(3,5-dimethyl-1-phenylpyrazol-4-yl)-bis(1-ethenylimidazol-2-yl)-sulfanylidene-lambda5-phosphane
PubChem CID2999024
Molecular FormulaC21H21N6PS
Molecular Weight420.48 g/mol
Exact Mass420.13
IUPAC Name(3,5-dimethyl-1-phenylpyrazol-4-yl)-bis(1-ethenylimidazol-2-yl)-sulfanylidene-lambda5-phosphane
SMILESC=Cn1ccnc1P(=S)(c1c(C)nn(-c2ccccc2)c1C)c1nccn1C=C
InChIInChI=1S/C21H21N6PS/c1-5-25-14-12-22-20(25)28(29,21-23-13-15-26(21)6-2)19-16(3)24-27(17(19)4)18-10-8-7-9-11-18/h5-15H,1-2H2,3-4H3
InChIKeyOWJYZVYHLGHHMK-UHFFFAOYSA-N
XLogP2.84
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3,5-dimethyl-1-phenylpyrazol-4-yl)-bis(1-ethenylimidazol-2-yl)-sulfanylidene-lambda5-phosphane with MolForge

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

Launch Full Analysis

Related Compounds

4-[methoxy(methyl)phosphoryl]-3,5-dimethyl-1-phenylpyrazole
CID 11865238
4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium
CID 176877441
(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane
CID 130535844
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine
CID 67710570
3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole
CID 143867977
3-methyl-1-phenylpyrazolo[4,5-b]pyridine
CID 76847108
(3,5-dimethyl-1-phenylpyrazol-4-yl)-(2-methoxyphenyl)imino-methyl-phenyl-λ5-phosphane
CID 5122330
3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide
CID 19681810
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
3,5-dimethyl-1-phenyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide
CID 19682229
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-oxoacetamide
CID 46698674
4,5-dimethyl-3-penta-1,3-dien-3-yl-1-phenylpyrazole
CID 123402628

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-phenylpyrazol-4-yl)-bis(1-ethenylimidazol-2-yl)-sulfanylidene-lambda5-phosphane?
The IUPAC name of (3,5-dimethyl-1-phenylpyrazol-4-yl)-bis(1-ethenylimidazol-2-yl)-sulfanylidene-lambda5-phosphane (CID 2999024) is (3,5-dimethyl-1-phenylpyrazol-4-yl)-bis(1-ethenylimidazol-2-yl)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for (3,5-dimethyl-1-phenylpyrazol-4-yl)-bis(1-ethenylimidazol-2-yl)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for (3,5-dimethyl-1-phenylpyrazol-4-yl)-bis(1-ethenylimidazol-2-yl)-sulfanylidene-lambda5-phosphane is C=Cn1ccnc1P(=S)(c1c(C)nn(-c2ccccc2)c1C)c1nccn1C=C.
What is the InChIKey of (3,5-dimethyl-1-phenylpyrazol-4-yl)-bis(1-ethenylimidazol-2-yl)-sulfanylidene-lambda5-phosphane?
The InChIKey is OWJYZVYHLGHHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N6PS/c1-5-25-14-12-22-20(25)28(29,21-23-13-15-26(21)6-2)19-16(3)24-27(17(19)4)18-10-8-7-9-11-18/h5-15H,1-2H2,3-4H3.
What are the key properties of (3,5-dimethyl-1-phenylpyrazol-4-yl)-bis(1-ethenylimidazol-2-yl)-sulfanylidene-lambda5-phosphane?
(3,5-dimethyl-1-phenylpyrazol-4-yl)-bis(1-ethenylimidazol-2-yl)-sulfanylidene-lambda5-phosphane has a molecular weight of 420.48 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-phenylpyrazol-4-yl)-bis(1-ethenylimidazol-2-yl)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 2999024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).