5-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide

C11H12N4OS — CID 6890771

IUPAC5-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2ccc(C)s2)n[nH]1
InChIInChI=1S/C11H12N4OS/c1-7-5-10(14-13-7)11(16)15-12-6-9-4-3-8(2)17-9/h3-6H,1-2H3,(H,13,14)(H,15,16)/b12-6+
InChIKeyQNHHFKNLHNQUFC-WUXMJOGZSA-N
MW248.31 g/mol
LogP1.85
Rot. Bonds3

About 5-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide

5-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 6890771) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID6890771
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name5-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2ccc(C)s2)n[nH]1
InChIInChI=1S/C11H12N4OS/c1-7-5-10(14-13-7)11(16)15-12-6-9-4-3-8(2)17-9/h3-6H,1-2H3,(H,13,14)(H,15,16)/b12-6+
InChIKeyQNHHFKNLHNQUFC-WUXMJOGZSA-N
XLogP1.85
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide (CID 6890771) is 5-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N/N=C/c2ccc(C)s2)n[nH]1.
What is the InChIKey of 5-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is QNHHFKNLHNQUFC-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-7-5-10(14-13-7)11(16)15-12-6-9-4-3-8(2)17-9/h3-6H,1-2H3,(H,13,14)(H,15,16)/b12-6+.
What are the key properties of 5-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide?
5-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6890771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).