(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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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).