5-methyl-3-thiophen-2-yl-1H-pyrazole-4-carbohydrazide

C9H10N4OS — CID 2743400

IUPAC5-methyl-3-thiophen-2-yl-1H-pyrazole-4-carbohydrazide
SMILESCc1[nH]nc(-c2cccs2)c1C(=O)NN
InChIInChI=1S/C9H10N4OS/c1-5-7(9(14)11-10)8(13-12-5)6-3-2-4-15-6/h2-4H,10H2,1H3,(H,11,14)(H,12,13)
InChIKeyNKMUUXFRZXDNER-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.05
Rot. Bonds2

About 5-methyl-3-thiophen-2-yl-1H-pyrazole-4-carbohydrazide

5-methyl-3-thiophen-2-yl-1H-pyrazole-4-carbohydrazide (PubChem CID 2743400) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-methyl-3-thiophen-2-yl-1H-pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-methyl-3-thiophen-2-yl-1H-pyrazole-4-carbohydrazide
PubChem CID2743400
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name5-methyl-3-thiophen-2-yl-1H-pyrazole-4-carbohydrazide
SMILESCc1[nH]nc(-c2cccs2)c1C(=O)NN
InChIInChI=1S/C9H10N4OS/c1-5-7(9(14)11-10)8(13-12-5)6-3-2-4-15-6/h2-4H,10H2,1H3,(H,11,14)(H,12,13)
InChIKeyNKMUUXFRZXDNER-UHFFFAOYSA-N
XLogP1.05
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-methyl-3-thiophen-2-yl-1H-pyrazole-4-carbohydrazide?
The IUPAC name of 5-methyl-3-thiophen-2-yl-1H-pyrazole-4-carbohydrazide (CID 2743400) is 5-methyl-3-thiophen-2-yl-1H-pyrazole-4-carbohydrazide.
What is the SMILES notation for 5-methyl-3-thiophen-2-yl-1H-pyrazole-4-carbohydrazide?
The canonical SMILES for 5-methyl-3-thiophen-2-yl-1H-pyrazole-4-carbohydrazide is Cc1[nH]nc(-c2cccs2)c1C(=O)NN.
What is the InChIKey of 5-methyl-3-thiophen-2-yl-1H-pyrazole-4-carbohydrazide?
The InChIKey is NKMUUXFRZXDNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-5-7(9(14)11-10)8(13-12-5)6-3-2-4-15-6/h2-4H,10H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 5-methyl-3-thiophen-2-yl-1H-pyrazole-4-carbohydrazide?
5-methyl-3-thiophen-2-yl-1H-pyrazole-4-carbohydrazide has a molecular weight of 222.27 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-thiophen-2-yl-1H-pyrazole-4-carbohydrazide is sourced from PubChem (CID 2743400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).