2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-diphenylguanidine

C24H23N5O — CID 2140220

IUPAC2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-diphenylguanidine
SMILESCc1c(N=C(Nc2ccccc2)Nc2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H23N5O/c1-18-22(23(30)29(28(18)2)21-16-10-5-11-17-21)27-24(25-19-12-6-3-7-13-19)26-20-14-8-4-9-15-20/h3-17H,1-2H3,(H2,25,26,27)
InChIKeyYUNKLPJKPIZXGP-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.70
Rot. Bonds4

About 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-diphenylguanidine

2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-diphenylguanidine (PubChem CID 2140220) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-diphenylguanidine.

Molecular Properties

Compound Name2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-diphenylguanidine
PubChem CID2140220
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-diphenylguanidine
SMILESCc1c(N=C(Nc2ccccc2)Nc2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H23N5O/c1-18-22(23(30)29(28(18)2)21-16-10-5-11-17-21)27-24(25-19-12-6-3-7-13-19)26-20-14-8-4-9-15-20/h3-17H,1-2H3,(H2,25,26,27)
InChIKeyYUNKLPJKPIZXGP-UHFFFAOYSA-N
XLogP4.70
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[amino-(4-methoxyanilino)methylidene]-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)guanidine
CID 3252183
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-phenylbenzamide
CID 24643280
4-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 135857168
methyl 2-cyano-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-3-methylsulfanylpropanoate
CID 91526043
2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 1412018
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-methylphenyl)thiourea
CID 1341532
4-(diethylaminodiazenyl)-1,5-dimethyl-2-phenylpyrazol-3-one
CID 785550
1,5-dimethyl-4-[(2-methylphenyl)methylideneamino]-2-phenylpyrazol-3-one
CID 4064247
ethyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-3-hydroxy-3-phenylprop-2-enoate
CID 135401816
1,5-dimethyl-4-[(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-phenylpyrazol-3-one
CID 1498144
methyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]benzoate
CID 26908983

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-diphenylguanidine?
The IUPAC name of 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-diphenylguanidine (CID 2140220) is 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-diphenylguanidine.
What is the SMILES notation for 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-diphenylguanidine?
The canonical SMILES for 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-diphenylguanidine is Cc1c(N=C(Nc2ccccc2)Nc2ccccc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-diphenylguanidine?
The InChIKey is YUNKLPJKPIZXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-18-22(23(30)29(28(18)2)21-16-10-5-11-17-21)27-24(25-19-12-6-3-7-13-19)26-20-14-8-4-9-15-20/h3-17H,1-2H3,(H2,25,26,27).
What are the key properties of 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-diphenylguanidine?
2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-diphenylguanidine has a molecular weight of 397.48 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-diphenylguanidine is sourced from PubChem (CID 2140220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).