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

C15H13N5OS — CID 6869522

IUPAC5-(5-methylthiophen-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C/c3ccncc3)n[nH]2)s1
InChIInChI=1S/C15H13N5OS/c1-10-2-3-14(22-10)12-8-13(19-18-12)15(21)20-17-9-11-4-6-16-7-5-11/h2-9H,1H3,(H,18,19)(H,20,21)/b17-9+
InChIKeyWZHSVZHJUQZGTC-RQZCQDPDSA-N
MW311.37 g/mol
LogP2.61
Rot. Bonds4

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

5-(5-methylthiophen-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 6869522) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-methylthiophen-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID6869522
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC Name5-(5-methylthiophen-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C/c3ccncc3)n[nH]2)s1
InChIInChI=1S/C15H13N5OS/c1-10-2-3-14(22-10)12-8-13(19-18-12)15(21)20-17-9-11-4-6-16-7-5-11/h2-9H,1H3,(H,18,19)(H,20,21)/b17-9+
InChIKeyWZHSVZHJUQZGTC-RQZCQDPDSA-N
XLogP2.61
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.61
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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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophen-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(5-methylthiophen-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide (CID 6869522) is 5-(5-methylthiophen-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-methylthiophen-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-methylthiophen-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N/N=C/c3ccncc3)n[nH]2)s1.
What is the InChIKey of 5-(5-methylthiophen-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is WZHSVZHJUQZGTC-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13N5OS/c1-10-2-3-14(22-10)12-8-13(19-18-12)15(21)20-17-9-11-4-6-16-7-5-11/h2-9H,1H3,(H,18,19)(H,20,21)/b17-9+.
What are the key properties of 5-(5-methylthiophen-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
5-(5-methylthiophen-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 2.61, 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)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6869522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).