5-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide

C16H15N5OS — CID 5393006

IUPAC5-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(-c2ccc(C)s2)[nH]n1)c1ccncc1
InChIInChI=1S/C16H15N5OS/c1-10-3-4-15(23-10)13-9-14(20-19-13)16(22)21-18-11(2)12-5-7-17-8-6-12/h3-9H,1-2H3,(H,19,20)(H,21,22)/b18-11+
InChIKeyUCSKHALQODYZFK-WOJGMQOQSA-N
MW325.40 g/mol
LogP3.00
Rot. Bonds4

About 5-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide

5-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 5393006) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID5393006
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name5-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(-c2ccc(C)s2)[nH]n1)c1ccncc1
InChIInChI=1S/C16H15N5OS/c1-10-3-4-15(23-10)13-9-14(20-19-13)16(22)21-18-11(2)12-5-7-17-8-6-12/h3-9H,1-2H3,(H,19,20)(H,21,22)/b18-11+
InChIKeyUCSKHALQODYZFK-WOJGMQOQSA-N
XLogP3.00
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-((E,2E)-2-Methyl-3-phenyl-2-propenylidene)-3-(1-methyl-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 6869472
3-Ethyl-4-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872295
3-(5-Chloro-2-thienyl)-N'-(2-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 9556890
3-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6871425
3-(5-Chloro-2-thienyl)-N'-((E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-YL)methylidene)-1H-pyrazole-5-carbohydrazide
CID 6869553
3-(5-Bromo-2-thienyl)-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6869559
3-(1-ME-1H-Pyrrol-2-YL)-N'-(3-PH-2-propenylidene)-1H-pyrazole-5-carbohydrazide
CID 6900541
(E)-3-(5-chlorothiophen-2-yl)-N'-(1-(pyridin-4-yl)ethylidene)-1H-pyrazole-5-carbohydrazide
CID 5392692
3-(5-Chlorothiophen-2-YL)-N'-[(Z)-(pyridin-3-YL)methylidene]-1H-pyrazole-5-carbohydrazide
CID 5392989
5-tert-butyl-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 5726253
5-ethyl-N'-[(E)-pyridin-4-ylmethylidene]thiophene-2-carbohydrazide
CID 25237223
5-methyl-N'-[(1Z)-1-(pyridin-4-yl)ethylidene]thiophene-2-carbohydrazide
CID 25237461

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide (CID 5393006) is 5-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide is C/C(=N\NC(=O)c1cc(-c2ccc(C)s2)[nH]n1)c1ccncc1.
What is the InChIKey of 5-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is UCSKHALQODYZFK-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-10-3-4-15(23-10)13-9-14(20-19-13)16(22)21-18-11(2)12-5-7-17-8-6-12/h3-9H,1-2H3,(H,19,20)(H,21,22)/b18-11+.
What are the key properties of 5-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide?
5-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 325.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 5393006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).