ethane;(5-methyl-1-phenylpyrazol-3-yl)phosphane

C12H17N2P — CID 142062673

IUPACethane;(5-methyl-1-phenylpyrazol-3-yl)phosphane
SMILESCC.Cc1cc(P)nn1-c1ccccc1
InChIInChI=1S/C10H11N2P.C2H6/c1-8-7-10(13)11-12(8)9-5-3-2-4-6-9;1-2/h2-7H,13H2,1H3;1-2H3
InChIKeyOLILGWZWWFAETR-UHFFFAOYSA-N
MW220.26 g/mol
LogP2.71
Rot. Bonds1

About ethane;(5-methyl-1-phenylpyrazol-3-yl)phosphane

ethane;(5-methyl-1-phenylpyrazol-3-yl)phosphane (PubChem CID 142062673) has the molecular formula C12H17N2P and a molecular weight of 220.26 g/mol. Its IUPAC name is ethane;(5-methyl-1-phenylpyrazol-3-yl)phosphane.

Molecular Properties

Compound Nameethane;(5-methyl-1-phenylpyrazol-3-yl)phosphane
PubChem CID142062673
Molecular FormulaC12H17N2P
Molecular Weight220.26 g/mol
Exact Mass220.11
IUPAC Nameethane;(5-methyl-1-phenylpyrazol-3-yl)phosphane
SMILESCC.Cc1cc(P)nn1-c1ccccc1
InChIInChI=1S/C10H11N2P.C2H6/c1-8-7-10(13)11-12(8)9-5-3-2-4-6-9;1-2/h2-7H,13H2,1H3;1-2H3
InChIKeyOLILGWZWWFAETR-UHFFFAOYSA-N
XLogP2.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(5-methyl-1-phenylpyrazol-3-yl)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

3-(chloromethyl)-5-methyl-1-phenylpyrazole
CID 82126485
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole
CID 71416942
5-methyl-1-phenylpyrazole-3-carboxamide
CID 68896199
5-methyl-1-(4-phenylphenyl)pyrazol-3-amine
CID 102942821
3-(2-aminopropan-2-yl)-6-methyl-1-phenylpyridazin-4-one
CID 82419803
3-(ethylamino)-6-methyl-1-phenylpyridazin-4-one
CID 14820815
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
3-(6-methyl-4-oxo-1-phenylpyridazin-3-yl)propanoic acid
CID 82419815
5-chloro-3-methyl-1-phenylpyrazole
CID 2735771
3-chloro-5-methyl-1-phenyl-1,2,4-triazole
CID 30032671
(1,5-diphenyl-1,2,4-triazol-3-yl)methanol;ethane
CID 91466703

Frequently Asked Questions

What is the IUPAC name of ethane;(5-methyl-1-phenylpyrazol-3-yl)phosphane?
The IUPAC name of ethane;(5-methyl-1-phenylpyrazol-3-yl)phosphane (CID 142062673) is ethane;(5-methyl-1-phenylpyrazol-3-yl)phosphane.
What is the SMILES notation for ethane;(5-methyl-1-phenylpyrazol-3-yl)phosphane?
The canonical SMILES for ethane;(5-methyl-1-phenylpyrazol-3-yl)phosphane is CC.Cc1cc(P)nn1-c1ccccc1.
What is the InChIKey of ethane;(5-methyl-1-phenylpyrazol-3-yl)phosphane?
The InChIKey is OLILGWZWWFAETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N2P.C2H6/c1-8-7-10(13)11-12(8)9-5-3-2-4-6-9;1-2/h2-7H,13H2,1H3;1-2H3.
What are the key properties of ethane;(5-methyl-1-phenylpyrazol-3-yl)phosphane?
ethane;(5-methyl-1-phenylpyrazol-3-yl)phosphane has a molecular weight of 220.26 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5-methyl-1-phenylpyrazol-3-yl)phosphane is sourced from PubChem (CID 142062673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).