(2E,5E)-2,5-bis[(1-methylpyrazol-4-yl)methylidene]cyclopentan-1-one

C15H16N4O — CID 6211073

IUPAC(2E,5E)-2,5-bis[(1-methylpyrazol-4-yl)methylidene]cyclopentan-1-one
SMILESCn1cc(/C=C2\CC/C(=C\c3cnn(C)c3)C2=O)cn1
InChIInChI=1S/C15H16N4O/c1-18-9-11(7-16-18)5-13-3-4-14(15(13)20)6-12-8-17-19(2)10-12/h5-10H,3-4H2,1-2H3/b13-5+,14-6+
InChIKeyUWLUQURHVFLEMQ-ACFHMISVSA-N
MW268.32 g/mol
LogP1.98
Rot. Bonds2

About (2E,5E)-2,5-bis[(1-methylpyrazol-4-yl)methylidene]cyclopentan-1-one

(2E,5E)-2,5-bis[(1-methylpyrazol-4-yl)methylidene]cyclopentan-1-one (PubChem CID 6211073) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is (2E,5E)-2,5-bis[(1-methylpyrazol-4-yl)methylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(2E,5E)-2,5-bis[(1-methylpyrazol-4-yl)methylidene]cyclopentan-1-one
PubChem CID6211073
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name(2E,5E)-2,5-bis[(1-methylpyrazol-4-yl)methylidene]cyclopentan-1-one
SMILESCn1cc(/C=C2\CC/C(=C\c3cnn(C)c3)C2=O)cn1
InChIInChI=1S/C15H16N4O/c1-18-9-11(7-16-18)5-13-3-4-14(15(13)20)6-12-8-17-19(2)10-12/h5-10H,3-4H2,1-2H3/b13-5+,14-6+
InChIKeyUWLUQURHVFLEMQ-ACFHMISVSA-N
XLogP1.98
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E,5E)-2,5-bis[(1-methylpyrazol-4-yl)methylidene]cyclopentan-1-one 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

(5E)-5-[(1-methylpyrazol-4-yl)methylidene]-6,7-dihydro-1-benzothiophen-4-one
CID 75407019
2-[(1-methylpyrazol-4-yl)methylidene]-5-[(3-nitrophenyl)methylidene]cyclopentan-1-one
CID 91942213
(2Z,6Z)-4-(2-methylbutan-2-yl)-2,6-bis[(1-methylpyrazol-4-yl)methylidene]cyclohexan-1-one
CID 97359737
4-(2-methylbutan-2-yl)-2,6-bis[(1-methylpyrazol-4-yl)methylidene]cyclohexan-1-one
CID 102594123
(4Z)-8-bromo-4-[(1-methylpyrazol-4-yl)methylidene]-2,3-dihydro-1-benzoxepin-5-one
CID 134024255
6-fluoro-2-[(1-methylpyrazol-4-yl)methylidene]-3H-inden-1-one
CID 71978839
(5E)-5-[(1-methylpyrazol-4-yl)methylidene]imidazolidine-2,4-dione
CID 17024892
3-methyl-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4774640
(2Z,5E)-2,5-bis[(1-methylpyrazol-3-yl)methylidene]cyclopentan-1-one
CID 6211085
2,5-bis[(1-methylpyrazol-3-yl)methylidene]cyclopentan-1-one
CID 4774502
1-methyl-4-(2-methylprop-1-enyl)pyrazole
CID 155941655
(1E,4E)-1,5-bis(1-methylpyrazol-4-yl)penta-1,4-dien-3-one
CID 122177397

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-2,5-bis[(1-methylpyrazol-4-yl)methylidene]cyclopentan-1-one?
The IUPAC name of (2E,5E)-2,5-bis[(1-methylpyrazol-4-yl)methylidene]cyclopentan-1-one (CID 6211073) is (2E,5E)-2,5-bis[(1-methylpyrazol-4-yl)methylidene]cyclopentan-1-one.
What is the SMILES notation for (2E,5E)-2,5-bis[(1-methylpyrazol-4-yl)methylidene]cyclopentan-1-one?
The canonical SMILES for (2E,5E)-2,5-bis[(1-methylpyrazol-4-yl)methylidene]cyclopentan-1-one is Cn1cc(/C=C2\CC/C(=C\c3cnn(C)c3)C2=O)cn1.
What is the InChIKey of (2E,5E)-2,5-bis[(1-methylpyrazol-4-yl)methylidene]cyclopentan-1-one?
The InChIKey is UWLUQURHVFLEMQ-ACFHMISVSA-N. The full InChI is InChI=1S/C15H16N4O/c1-18-9-11(7-16-18)5-13-3-4-14(15(13)20)6-12-8-17-19(2)10-12/h5-10H,3-4H2,1-2H3/b13-5+,14-6+.
What are the key properties of (2E,5E)-2,5-bis[(1-methylpyrazol-4-yl)methylidene]cyclopentan-1-one?
(2E,5E)-2,5-bis[(1-methylpyrazol-4-yl)methylidene]cyclopentan-1-one has a molecular weight of 268.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-2,5-bis[(1-methylpyrazol-4-yl)methylidene]cyclopentan-1-one is sourced from PubChem (CID 6211073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).