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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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).