3-(2,5-dimethylpyrrol-1-yl)-4-methylbenzohydrazide

C14H17N3O — CID 118443940

IUPAC3-(2,5-dimethylpyrrol-1-yl)-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NN)cc1-n1c(C)ccc1C
InChIInChI=1S/C14H17N3O/c1-9-4-7-12(14(18)16-15)8-13(9)17-10(2)5-6-11(17)3/h4-8H,15H2,1-3H3,(H,16,18)
InChIKeyBNFBGRRHZLGBOM-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.01
Rot. Bonds2

About 3-(2,5-dimethylpyrrol-1-yl)-4-methylbenzohydrazide

3-(2,5-dimethylpyrrol-1-yl)-4-methylbenzohydrazide (PubChem CID 118443940) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrol-1-yl)-4-methylbenzohydrazide.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrol-1-yl)-4-methylbenzohydrazide
PubChem CID118443940
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(2,5-dimethylpyrrol-1-yl)-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NN)cc1-n1c(C)ccc1C
InChIInChI=1S/C14H17N3O/c1-9-4-7-12(14(18)16-15)8-13(9)17-10(2)5-6-11(17)3/h4-8H,15H2,1-3H3,(H,16,18)
InChIKeyBNFBGRRHZLGBOM-UHFFFAOYSA-N
XLogP2.01
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-iodo-4-methylbenzohydrazide
CID 59732500
4-methyl-3-(trifluoromethyl)benzohydrazide
CID 58139383
3-methyl-4-propan-2-ylbenzohydrazide
CID 130427973
methyl 4-(hydrazinecarbonyl)-2-methylbenzoate
CID 162059999
4-methyl-3-(2-methylpropoxy)benzohydrazide
CID 163359289
3-[(2,5-dimethylpyrrol-1-yl)methyl]benzohydrazide
CID 100793902
1,3-dimethylindole-5-carbohydrazide
CID 169299009
ethane;4-methylbenzohydrazide
CID 143952809
9-acetylcarbazole-3,6-dicarbohydrazide
CID 174724830
ethyl N-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]carbamate
CID 43042123
3-(4-amino-2-oxopyrrolidin-1-yl)-N-ethyl-4-methylbenzamide
CID 168699250
3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N,4-dimethylbenzamide
CID 169327712

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-4-methylbenzohydrazide?
The IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-4-methylbenzohydrazide (CID 118443940) is 3-(2,5-dimethylpyrrol-1-yl)-4-methylbenzohydrazide.
What is the SMILES notation for 3-(2,5-dimethylpyrrol-1-yl)-4-methylbenzohydrazide?
The canonical SMILES for 3-(2,5-dimethylpyrrol-1-yl)-4-methylbenzohydrazide is Cc1ccc(C(=O)NN)cc1-n1c(C)ccc1C.
What is the InChIKey of 3-(2,5-dimethylpyrrol-1-yl)-4-methylbenzohydrazide?
The InChIKey is BNFBGRRHZLGBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-4-7-12(14(18)16-15)8-13(9)17-10(2)5-6-11(17)3/h4-8H,15H2,1-3H3,(H,16,18).
What are the key properties of 3-(2,5-dimethylpyrrol-1-yl)-4-methylbenzohydrazide?
3-(2,5-dimethylpyrrol-1-yl)-4-methylbenzohydrazide has a molecular weight of 243.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrol-1-yl)-4-methylbenzohydrazide is sourced from PubChem (CID 118443940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).