(4Z)-4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methylidene-2-phenylpyrazolidin-3-one

C26H19ClN4O — CID 2318055

IUPAC(4Z)-4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
SMILESC=c1[nH]n(-c2ccccc2)c(=O)/c1=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C26H19ClN4O/c1-18-24(26(32)31(28-18)23-10-6-3-7-11-23)16-20-17-30(22-8-4-2-5-9-22)29-25(20)19-12-14-21(27)15-13-19/h2-17,28H,1H2/b24-16-
InChIKeyBIMKTLDXXTXILB-JLPGSUDCSA-N
MW438.92 g/mol
LogP3.91
Rot. Bonds4

About (4Z)-4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methylidene-2-phenylpyrazolidin-3-one

(4Z)-4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methylidene-2-phenylpyrazolidin-3-one (PubChem CID 2318055) has the molecular formula C26H19ClN4O and a molecular weight of 438.92 g/mol. Its IUPAC name is (4Z)-4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methylidene-2-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name(4Z)-4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
PubChem CID2318055
Molecular FormulaC26H19ClN4O
Molecular Weight438.92 g/mol
Exact Mass438.12
IUPAC Name(4Z)-4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
SMILESC=c1[nH]n(-c2ccccc2)c(=O)/c1=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C26H19ClN4O/c1-18-24(26(32)31(28-18)23-10-6-3-7-11-23)16-20-17-30(22-8-4-2-5-9-22)29-25(20)19-12-14-21(27)15-13-19/h2-17,28H,1H2/b24-16-
InChIKeyBIMKTLDXXTXILB-JLPGSUDCSA-N
XLogP3.91
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 4315391
(4Z,5Z)-5-[(4-chlorophenyl)sulfanylmethylidene]-4-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-phenylpyrazolidin-3-one
CID 123156947
5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 2815340
4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-1H-pyrazol-5-one
CID 1356286
(4E)-4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-1H-pyrazol-5-one
CID 6344037
5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 3390592
(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 2003997
(4E)-4-[(1-ethylindol-3-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 2310378
(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-propyl-1,3-thiazolidine-2,4-dione
CID 46233218
(5Z)-3-benzyl-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 6244728
(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2139075
5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(4-methylphenyl)-4-sulfanylidene-1,3-thiazolidin-2-one
CID 4709636

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methylidene-2-phenylpyrazolidin-3-one?
The IUPAC name of (4Z)-4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methylidene-2-phenylpyrazolidin-3-one (CID 2318055) is (4Z)-4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methylidene-2-phenylpyrazolidin-3-one.
What is the SMILES notation for (4Z)-4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methylidene-2-phenylpyrazolidin-3-one?
The canonical SMILES for (4Z)-4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methylidene-2-phenylpyrazolidin-3-one is C=c1[nH]n(-c2ccccc2)c(=O)/c1=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of (4Z)-4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methylidene-2-phenylpyrazolidin-3-one?
The InChIKey is BIMKTLDXXTXILB-JLPGSUDCSA-N. The full InChI is InChI=1S/C26H19ClN4O/c1-18-24(26(32)31(28-18)23-10-6-3-7-11-23)16-20-17-30(22-8-4-2-5-9-22)29-25(20)19-12-14-21(27)15-13-19/h2-17,28H,1H2/b24-16-.
What are the key properties of (4Z)-4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methylidene-2-phenylpyrazolidin-3-one?
(4Z)-4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methylidene-2-phenylpyrazolidin-3-one has a molecular weight of 438.92 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methylidene-2-phenylpyrazolidin-3-one is sourced from PubChem (CID 2318055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).