(2E,4Z)-N-hydroxy-5-(1-methylpyrazol-3-yl)-5-methylsulfanylpenta-2,4-dienamide

C10H13N3O2S — CID 142857959

IUPAC(2E,4Z)-N-hydroxy-5-(1-methylpyrazol-3-yl)-5-methylsulfanylpenta-2,4-dienamide
SMILESCS/C(=C\C=C\C(=O)NO)c1ccn(C)n1
InChIInChI=1S/C10H13N3O2S/c1-13-7-6-8(11-13)9(16-2)4-3-5-10(14)12-15/h3-7,15H,1-2H3,(H,12,14)/b5-3+,9-4-
InChIKeyDUKILSLENLBOQR-PVOUKABXSA-N
MW239.30 g/mol
LogP1.19
Rot. Bonds4

About (2E,4Z)-N-hydroxy-5-(1-methylpyrazol-3-yl)-5-methylsulfanylpenta-2,4-dienamide

(2E,4Z)-N-hydroxy-5-(1-methylpyrazol-3-yl)-5-methylsulfanylpenta-2,4-dienamide (PubChem CID 142857959) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is (2E,4Z)-N-hydroxy-5-(1-methylpyrazol-3-yl)-5-methylsulfanylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-N-hydroxy-5-(1-methylpyrazol-3-yl)-5-methylsulfanylpenta-2,4-dienamide
PubChem CID142857959
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name(2E,4Z)-N-hydroxy-5-(1-methylpyrazol-3-yl)-5-methylsulfanylpenta-2,4-dienamide
SMILESCS/C(=C\C=C\C(=O)NO)c1ccn(C)n1
InChIInChI=1S/C10H13N3O2S/c1-13-7-6-8(11-13)9(16-2)4-3-5-10(14)12-15/h3-7,15H,1-2H3,(H,12,14)/b5-3+,9-4-
InChIKeyDUKILSLENLBOQR-PVOUKABXSA-N
XLogP1.19
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z)-N-hydroxy-5-(1-methylpyrazol-3-yl)-5-methylsulfanylpenta-2,4-dienamide 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

(e)-N-methoxy-N-methyl-3-(1-methyl-1h-pyrazol-5-yl)acrylamide
CID 60753499
(e)-N-methoxy-N-methyl-3-(1-methyl-1h-pyrazol-3-yl)acrylamide
CID 129841626
(E)-3-(2-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide
CID 81341009
(5E)-5-[(1-ethyl-1H-pyrazol-5-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
CID 19581491
5-[(2-Ethylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4862685
(5Z)-5-[(2-ethylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6220741
(5Z)-5-[(1-methylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 19618224
(5Z)-5-[(1-ethylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 19618227
(5Z)-5-[(2-methylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 19618230
(E)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 43244794
(E)-N-butyl-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 45809823
(Z)-3-(1-ethylpyrazol-3-yl)prop-2-enamide
CID 55265873

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-hydroxy-5-(1-methylpyrazol-3-yl)-5-methylsulfanylpenta-2,4-dienamide?
The IUPAC name of (2E,4Z)-N-hydroxy-5-(1-methylpyrazol-3-yl)-5-methylsulfanylpenta-2,4-dienamide (CID 142857959) is (2E,4Z)-N-hydroxy-5-(1-methylpyrazol-3-yl)-5-methylsulfanylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-N-hydroxy-5-(1-methylpyrazol-3-yl)-5-methylsulfanylpenta-2,4-dienamide?
The canonical SMILES for (2E,4Z)-N-hydroxy-5-(1-methylpyrazol-3-yl)-5-methylsulfanylpenta-2,4-dienamide is CS/C(=C\C=C\C(=O)NO)c1ccn(C)n1.
What is the InChIKey of (2E,4Z)-N-hydroxy-5-(1-methylpyrazol-3-yl)-5-methylsulfanylpenta-2,4-dienamide?
The InChIKey is DUKILSLENLBOQR-PVOUKABXSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-13-7-6-8(11-13)9(16-2)4-3-5-10(14)12-15/h3-7,15H,1-2H3,(H,12,14)/b5-3+,9-4-.
What are the key properties of (2E,4Z)-N-hydroxy-5-(1-methylpyrazol-3-yl)-5-methylsulfanylpenta-2,4-dienamide?
(2E,4Z)-N-hydroxy-5-(1-methylpyrazol-3-yl)-5-methylsulfanylpenta-2,4-dienamide has a molecular weight of 239.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-hydroxy-5-(1-methylpyrazol-3-yl)-5-methylsulfanylpenta-2,4-dienamide is sourced from PubChem (CID 142857959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).