4,5-dimethyl-2-pyrrol-1-yl-N'-[4-(tetrazol-1-yl)benzoyl]thiophene-3-carbohydrazide

C19H17N7O2S — CID 31261165

IUPAC4,5-dimethyl-2-pyrrol-1-yl-N'-[4-(tetrazol-1-yl)benzoyl]thiophene-3-carbohydrazide
SMILESCc1sc(-n2cccc2)c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1C
InChIInChI=1S/C19H17N7O2S/c1-12-13(2)29-19(25-9-3-4-10-25)16(12)18(28)22-21-17(27)14-5-7-15(8-6-14)26-11-20-23-24-26/h3-11H,1-2H3,(H,21,27)(H,22,28)
InChIKeyMUILCCZYXGGTHT-UHFFFAOYSA-N
MW407.46 g/mol
LogP2.21
Rot. Bonds4

About 4,5-dimethyl-2-pyrrol-1-yl-N'-[4-(tetrazol-1-yl)benzoyl]thiophene-3-carbohydrazide

4,5-dimethyl-2-pyrrol-1-yl-N'-[4-(tetrazol-1-yl)benzoyl]thiophene-3-carbohydrazide (PubChem CID 31261165) has the molecular formula C19H17N7O2S and a molecular weight of 407.46 g/mol. Its IUPAC name is 4,5-dimethyl-2-pyrrol-1-yl-N'-[4-(tetrazol-1-yl)benzoyl]thiophene-3-carbohydrazide.

Molecular Properties

Compound Name4,5-dimethyl-2-pyrrol-1-yl-N'-[4-(tetrazol-1-yl)benzoyl]thiophene-3-carbohydrazide
PubChem CID31261165
Molecular FormulaC19H17N7O2S
Molecular Weight407.46 g/mol
Exact Mass407.12
IUPAC Name4,5-dimethyl-2-pyrrol-1-yl-N'-[4-(tetrazol-1-yl)benzoyl]thiophene-3-carbohydrazide
SMILESCc1sc(-n2cccc2)c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1C
InChIInChI=1S/C19H17N7O2S/c1-12-13(2)29-19(25-9-3-4-10-25)16(12)18(28)22-21-17(27)14-5-7-15(8-6-14)26-11-20-23-24-26/h3-11H,1-2H3,(H,21,27)(H,22,28)
InChIKeyMUILCCZYXGGTHT-UHFFFAOYSA-N
XLogP2.21
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30878039
4-methyl-2-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide
CID 29491918
4-methyl-2-propyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide
CID 60551181
N-[2-(4-hydroxyphenyl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 125433878
N-cycloheptyl-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 45492077
4,5-dimethyl-2-(tetrazol-1-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]thiophene-3-carboxamide
CID 125431094
3,4,7-trimethyl-N'-[4-(tetrazol-1-yl)benzoyl]-1-benzofuran-2-carbohydrazide
CID 60575788
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxylate
CID 8867848
4,5-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 125432851
3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30879445
4,5-dimethyl-N-(4-sulfamoylphenyl)-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 127254518

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-pyrrol-1-yl-N'-[4-(tetrazol-1-yl)benzoyl]thiophene-3-carbohydrazide?
The IUPAC name of 4,5-dimethyl-2-pyrrol-1-yl-N'-[4-(tetrazol-1-yl)benzoyl]thiophene-3-carbohydrazide (CID 31261165) is 4,5-dimethyl-2-pyrrol-1-yl-N'-[4-(tetrazol-1-yl)benzoyl]thiophene-3-carbohydrazide.
What is the SMILES notation for 4,5-dimethyl-2-pyrrol-1-yl-N'-[4-(tetrazol-1-yl)benzoyl]thiophene-3-carbohydrazide?
The canonical SMILES for 4,5-dimethyl-2-pyrrol-1-yl-N'-[4-(tetrazol-1-yl)benzoyl]thiophene-3-carbohydrazide is Cc1sc(-n2cccc2)c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1C.
What is the InChIKey of 4,5-dimethyl-2-pyrrol-1-yl-N'-[4-(tetrazol-1-yl)benzoyl]thiophene-3-carbohydrazide?
The InChIKey is MUILCCZYXGGTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2S/c1-12-13(2)29-19(25-9-3-4-10-25)16(12)18(28)22-21-17(27)14-5-7-15(8-6-14)26-11-20-23-24-26/h3-11H,1-2H3,(H,21,27)(H,22,28).
What are the key properties of 4,5-dimethyl-2-pyrrol-1-yl-N'-[4-(tetrazol-1-yl)benzoyl]thiophene-3-carbohydrazide?
4,5-dimethyl-2-pyrrol-1-yl-N'-[4-(tetrazol-1-yl)benzoyl]thiophene-3-carbohydrazide has a molecular weight of 407.46 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-pyrrol-1-yl-N'-[4-(tetrazol-1-yl)benzoyl]thiophene-3-carbohydrazide is sourced from PubChem (CID 31261165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).