N'-(2,5-dimethylthiophene-3-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide

C17H16N4O2S — CID 17486234

IUPACN'-(2,5-dimethylthiophene-3-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c(C)s1
InChIInChI=1S/C17H16N4O2S/c1-10-8-13(11(2)24-10)16(22)20-21-17(23)15-9-14(18-19-15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,19)(H,20,22)(H,21,23)
InChIKeyCEMSBFAMCCBYPN-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.83
Rot. Bonds3

About N'-(2,5-dimethylthiophene-3-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide

N'-(2,5-dimethylthiophene-3-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide (PubChem CID 17486234) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N'-(2,5-dimethylthiophene-3-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dimethylthiophene-3-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
PubChem CID17486234
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN'-(2,5-dimethylthiophene-3-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c(C)s1
InChIInChI=1S/C17H16N4O2S/c1-10-8-13(11(2)24-10)16(22)20-21-17(23)15-9-14(18-19-15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,19)(H,20,22)(H,21,23)
InChIKeyCEMSBFAMCCBYPN-UHFFFAOYSA-N
XLogP2.83
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.83
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'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27698464
N'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27672307
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 26823847
N'-(2,3-dimethoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 26823823
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 8889318
3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide
CID 40671857
N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889561
N'-(2,2-diphenylacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 4787905
N'-(3-methylsulfanylpropanoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 18164415
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259
methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 644585

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylthiophene-3-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-(2,5-dimethylthiophene-3-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide (CID 17486234) is N'-(2,5-dimethylthiophene-3-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-(2,5-dimethylthiophene-3-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-(2,5-dimethylthiophene-3-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c(C)s1.
What is the InChIKey of N'-(2,5-dimethylthiophene-3-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The InChIKey is CEMSBFAMCCBYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-10-8-13(11(2)24-10)16(22)20-21-17(23)15-9-14(18-19-15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,19)(H,20,22)(H,21,23).
What are the key properties of N'-(2,5-dimethylthiophene-3-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
N'-(2,5-dimethylthiophene-3-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide has a molecular weight of 340.41 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylthiophene-3-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 17486234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).