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

C14H16N4O2S — CID 18164415

IUPACN'-(3-methylsulfanylpropanoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESCSCCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H16N4O2S/c1-21-8-7-13(19)17-18-14(20)12-9-11(15-16-12)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,16)(H,17,19)(H,18,20)
InChIKeyZPFAFXWUIFZLAX-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.59
Rot. Bonds5

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

N'-(3-methylsulfanylpropanoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide (PubChem CID 18164415) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N'-(3-methylsulfanylpropanoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methylsulfanylpropanoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
PubChem CID18164415
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN'-(3-methylsulfanylpropanoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESCSCCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H16N4O2S/c1-21-8-7-13(19)17-18-14(20)12-9-11(15-16-12)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,16)(H,17,19)(H,18,20)
InChIKeyZPFAFXWUIFZLAX-UHFFFAOYSA-N
XLogP1.59
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.59
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

3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
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CID 55791873
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 110205470
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 8889318
N'-[3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 9075646
N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24541013
N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24502827
N'-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27689384
N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27698464
N'-(2-naphthalen-2-yloxyacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 40591056
N-[4-methylsulfanyl-1-oxo-1-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide
CID 24541020
N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24607784

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylsulfanylpropanoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-(3-methylsulfanylpropanoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide (CID 18164415) is N'-(3-methylsulfanylpropanoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-(3-methylsulfanylpropanoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-(3-methylsulfanylpropanoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide is CSCCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N'-(3-methylsulfanylpropanoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The InChIKey is ZPFAFXWUIFZLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-21-8-7-13(19)17-18-14(20)12-9-11(15-16-12)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,16)(H,17,19)(H,18,20).
What are the key properties of N'-(3-methylsulfanylpropanoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
N'-(3-methylsulfanylpropanoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide has a molecular weight of 304.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylsulfanylpropanoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 18164415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).