1,3,5-trimethyl-N'-(thiophene-2-carbonyl)pyrazole-4-carbohydrazide

C12H14N4O2S — CID 3830565

IUPAC1,3,5-trimethyl-N'-(thiophene-2-carbonyl)pyrazole-4-carbohydrazide
SMILESCc1nn(C)c(C)c1C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C12H14N4O2S/c1-7-10(8(2)16(3)15-7)12(18)14-13-11(17)9-5-4-6-19-9/h4-6H,1-3H3,(H,13,17)(H,14,18)
InChIKeyWKDQJAAIMZEYFS-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.17
Rot. Bonds2

About 1,3,5-trimethyl-N'-(thiophene-2-carbonyl)pyrazole-4-carbohydrazide

1,3,5-trimethyl-N'-(thiophene-2-carbonyl)pyrazole-4-carbohydrazide (PubChem CID 3830565) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 1,3,5-trimethyl-N'-(thiophene-2-carbonyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1,3,5-trimethyl-N'-(thiophene-2-carbonyl)pyrazole-4-carbohydrazide
PubChem CID3830565
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name1,3,5-trimethyl-N'-(thiophene-2-carbonyl)pyrazole-4-carbohydrazide
SMILESCc1nn(C)c(C)c1C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C12H14N4O2S/c1-7-10(8(2)16(3)15-7)12(18)14-13-11(17)9-5-4-6-19-9/h4-6H,1-3H3,(H,13,17)(H,14,18)
InChIKeyWKDQJAAIMZEYFS-UHFFFAOYSA-N
XLogP1.17
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'3-(2-thienylcarbonyl)-4-bromo-1,5-dimethyl-1H-pyrazole-3-carbohydrazide
CID 2743626
N'-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-2-thiophenecarbohydrazide
CID 1488098
N'-{[1-(tert-butyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}thiophene-2-carbohydrazide
CID 2809443
1-[3,5-Dimethyl-1-(thiophene-2-carbonyl)pyrazol-4-yl]ethanone
CID 712603
1-(2-thienyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one
CID 5998314
1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide
CID 45805410
1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide
CID 84589932
1,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carbohydrazide
CID 2808355
N-[(1Z)-2-(3,5-dimethyl-1-pentylpyrazol-4-yl)-1-azavinyl]-2-thienylcarboxamide
CID 5725430
1,5-dimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide
CID 45863233
1-isopropyl-5-methyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 49675649
4-[(3-ethylthiophene-2-carbonyl)amino]-5-methyl-1H-pyrazole-3-carboxamide
CID 53609211

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N'-(thiophene-2-carbonyl)pyrazole-4-carbohydrazide?
The IUPAC name of 1,3,5-trimethyl-N'-(thiophene-2-carbonyl)pyrazole-4-carbohydrazide (CID 3830565) is 1,3,5-trimethyl-N'-(thiophene-2-carbonyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for 1,3,5-trimethyl-N'-(thiophene-2-carbonyl)pyrazole-4-carbohydrazide?
The canonical SMILES for 1,3,5-trimethyl-N'-(thiophene-2-carbonyl)pyrazole-4-carbohydrazide is Cc1nn(C)c(C)c1C(=O)NNC(=O)c1cccs1.
What is the InChIKey of 1,3,5-trimethyl-N'-(thiophene-2-carbonyl)pyrazole-4-carbohydrazide?
The InChIKey is WKDQJAAIMZEYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-7-10(8(2)16(3)15-7)12(18)14-13-11(17)9-5-4-6-19-9/h4-6H,1-3H3,(H,13,17)(H,14,18).
What are the key properties of 1,3,5-trimethyl-N'-(thiophene-2-carbonyl)pyrazole-4-carbohydrazide?
1,3,5-trimethyl-N'-(thiophene-2-carbonyl)pyrazole-4-carbohydrazide has a molecular weight of 278.34 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N'-(thiophene-2-carbonyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 3830565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).