5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide

C10H10N4OS — CID 6866198

IUPAC5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2cccs2)n[nH]1
InChIInChI=1S/C10H10N4OS/c1-7-5-9(13-12-7)10(15)14-11-6-8-3-2-4-16-8/h2-6H,1H3,(H,12,13)(H,14,15)/b11-6+
InChIKeyXSDKEFDGLQVGGK-IZZDOVSWSA-N
MW234.28 g/mol
LogP1.54
Rot. Bonds3

About 5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide

5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 6866198) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID6866198
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2cccs2)n[nH]1
InChIInChI=1S/C10H10N4OS/c1-7-5-9(13-12-7)10(15)14-11-6-8-3-2-4-16-8/h2-6H,1H3,(H,12,13)(H,14,15)/b11-6+
InChIKeyXSDKEFDGLQVGGK-IZZDOVSWSA-N
XLogP1.54
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.54
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)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide (CID 6866198) is 5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N/N=C/c2cccs2)n[nH]1.
What is the InChIKey of 5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is XSDKEFDGLQVGGK-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H10N4OS/c1-7-5-9(13-12-7)10(15)14-11-6-8-3-2-4-16-8/h2-6H,1H3,(H,12,13)(H,14,15)/b11-6+.
What are the key properties of 5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 234.28 g/mol, XLogP of 1.54, 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)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6866198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).