5-(hydrazinecarbonyl)-N-[1-(1H-pyrazol-5-yl)ethyl]thiophene-2-carboxamide

C11H13N5O2S — CID 67087165

IUPAC5-(hydrazinecarbonyl)-N-[1-(1H-pyrazol-5-yl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(C(=O)NN)s1)c1ccn[nH]1
InChIInChI=1S/C11H13N5O2S/c1-6(7-4-5-13-16-7)14-10(17)8-2-3-9(19-8)11(18)15-12/h2-6H,12H2,1H3,(H,13,16)(H,14,17)(H,15,18)
InChIKeyKYDURLOIAHALTA-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.57
Rot. Bonds4

About 5-(hydrazinecarbonyl)-N-[1-(1H-pyrazol-5-yl)ethyl]thiophene-2-carboxamide

5-(hydrazinecarbonyl)-N-[1-(1H-pyrazol-5-yl)ethyl]thiophene-2-carboxamide (PubChem CID 67087165) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 5-(hydrazinecarbonyl)-N-[1-(1H-pyrazol-5-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(hydrazinecarbonyl)-N-[1-(1H-pyrazol-5-yl)ethyl]thiophene-2-carboxamide
PubChem CID67087165
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name5-(hydrazinecarbonyl)-N-[1-(1H-pyrazol-5-yl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(C(=O)NN)s1)c1ccn[nH]1
InChIInChI=1S/C11H13N5O2S/c1-6(7-4-5-13-16-7)14-10(17)8-2-3-9(19-8)11(18)15-12/h2-6H,12H2,1H3,(H,13,16)(H,14,17)(H,15,18)
InChIKeyKYDURLOIAHALTA-UHFFFAOYSA-N
XLogP0.57
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-(hydrazinecarbonyl)-N-[1-(1H-pyrazol-5-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(hydrazinecarbonyl)-N-[1-(1H-pyrazol-5-yl)ethyl]thiophene-2-carboxamide (CID 67087165) is 5-(hydrazinecarbonyl)-N-[1-(1H-pyrazol-5-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(hydrazinecarbonyl)-N-[1-(1H-pyrazol-5-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(hydrazinecarbonyl)-N-[1-(1H-pyrazol-5-yl)ethyl]thiophene-2-carboxamide is CC(NC(=O)c1ccc(C(=O)NN)s1)c1ccn[nH]1.
What is the InChIKey of 5-(hydrazinecarbonyl)-N-[1-(1H-pyrazol-5-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is KYDURLOIAHALTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-6(7-4-5-13-16-7)14-10(17)8-2-3-9(19-8)11(18)15-12/h2-6H,12H2,1H3,(H,13,16)(H,14,17)(H,15,18).
What are the key properties of 5-(hydrazinecarbonyl)-N-[1-(1H-pyrazol-5-yl)ethyl]thiophene-2-carboxamide?
5-(hydrazinecarbonyl)-N-[1-(1H-pyrazol-5-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 279.32 g/mol, XLogP of 0.57, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydrazinecarbonyl)-N-[1-(1H-pyrazol-5-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 67087165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).