(4Z)-4-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one

C14H13N5O — CID 135532699

IUPAC(4Z)-4-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one
SMILESCc1cc(C)c(/C=C2\C(=O)NN=C2c2cnccn2)[nH]1
InChIInChI=1S/C14H13N5O/c1-8-5-9(2)17-11(8)6-10-13(18-19-14(10)20)12-7-15-3-4-16-12/h3-7,17H,1-2H3,(H,19,20)/b10-6-
InChIKeyWXZPKXSFZQCWPY-POHAHGRESA-N
MW267.29 g/mol
LogP1.34
Rot. Bonds2

About (4Z)-4-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one

(4Z)-4-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one (PubChem CID 135532699) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is (4Z)-4-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one
PubChem CID135532699
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name(4Z)-4-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one
SMILESCc1cc(C)c(/C=C2\C(=O)NN=C2c2cnccn2)[nH]1
InChIInChI=1S/C14H13N5O/c1-8-5-9(2)17-11(8)6-10-13(18-19-14(10)20)12-7-15-3-4-16-12/h3-7,17H,1-2H3,(H,19,20)/b10-6-
InChIKeyWXZPKXSFZQCWPY-POHAHGRESA-N
XLogP1.34
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Ethyl-4-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872295
3-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6871425
N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]pyridine-4-carbohydrazide
CID 6862523
3-(Propan-2-YL)-N'-[(1E)-1-(pyridin-4-YL)ethylidene]-1H-pyrazole-5-carbohydrazide
CID 44723927
N'-(1H-Pyrrol-2-ylmethylene)isonicotinohydrazide
CID 135444093
4-[4-(2-Diethylamino-ethyl)-3,5-dimethyl-1H-pyrrol-2-ylmethylene]-5-pyrazin-2-yl-2,4-dihydro-pyrazol-3-one
CID 136048734
(Z)-4-((2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
CID 1275683
5-(propan-2-yl)-N'-[(E)-pyridin-3-ylmethylidene]-1H-pyrazole-3-carbohydrazide
CID 6881196
3-methyl-N'-(1H-pyrrol-2-ylmethylene)benzohydrazide
CID 135401350
N'-[(E)-1H-pyrrol-2-ylmethylidene]pyridine-3-carbohydrazide
CID 135450850
5-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide
CID 5939922
5-methyl-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 6887544

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one?
The IUPAC name of (4Z)-4-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one (CID 135532699) is (4Z)-4-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one.
What is the SMILES notation for (4Z)-4-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one?
The canonical SMILES for (4Z)-4-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one is Cc1cc(C)c(/C=C2\C(=O)NN=C2c2cnccn2)[nH]1.
What is the InChIKey of (4Z)-4-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one?
The InChIKey is WXZPKXSFZQCWPY-POHAHGRESA-N. The full InChI is InChI=1S/C14H13N5O/c1-8-5-9(2)17-11(8)6-10-13(18-19-14(10)20)12-7-15-3-4-16-12/h3-7,17H,1-2H3,(H,19,20)/b10-6-.
What are the key properties of (4Z)-4-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one?
(4Z)-4-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one has a molecular weight of 267.29 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one is sourced from PubChem (CID 135532699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).