3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide

C15H12N4O2S — CID 40671857

IUPAC3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccsc1
InChIInChI=1S/C15H12N4O2S/c20-14(11-6-7-22-9-11)18-19-15(21)13-8-12(16-17-13)10-4-2-1-3-5-10/h1-9H,(H,16,17)(H,18,20)(H,19,21)
InChIKeyGOJFYONBZLBODP-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.21
Rot. Bonds3

About 3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide

3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide (PubChem CID 40671857) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is 3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide
PubChem CID40671857
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC Name3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccsc1
InChIInChI=1S/C15H12N4O2S/c20-14(11-6-7-22-9-11)18-19-15(21)13-8-12(16-17-13)10-4-2-1-3-5-10/h1-9H,(H,16,17)(H,18,20)(H,19,21)
InChIKeyGOJFYONBZLBODP-UHFFFAOYSA-N
XLogP2.21
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 26823847
N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27698464
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
N'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27672307
N'-(2,2-diphenylacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 4787905
N'-(2,5-dimethylthiophene-3-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 17486234
N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide
CID 24541019
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259
N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 26823723
N-[3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide
CID 27689349
N-(4-phenyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 17417127
N'-(3-methylsulfanylpropanoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 18164415

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide (CID 40671857) is 3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide is O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccsc1.
What is the InChIKey of 3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide?
The InChIKey is GOJFYONBZLBODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c20-14(11-6-7-22-9-11)18-19-15(21)13-8-12(16-17-13)10-4-2-1-3-5-10/h1-9H,(H,16,17)(H,18,20)(H,19,21).
What are the key properties of 3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide?
3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide has a molecular weight of 312.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 40671857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).