3,5-dimethyl-1H-pyrrole-2-carbohydrazide

C7H11N3O — CID 45084349

IUPAC3,5-dimethyl-1H-pyrrole-2-carbohydrazide
SMILESCc1cc(C)c(C(=O)NN)[nH]1
InChIInChI=1S/C7H11N3O/c1-4-3-5(2)9-6(4)7(11)10-8/h3,9H,8H2,1-2H3,(H,10,11)
InChIKeyJKCBUCBMQGSHIV-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.24
Rot. Bonds1

About 3,5-dimethyl-1H-pyrrole-2-carbohydrazide

3,5-dimethyl-1H-pyrrole-2-carbohydrazide (PubChem CID 45084349) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 3,5-dimethyl-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name3,5-dimethyl-1H-pyrrole-2-carbohydrazide
PubChem CID45084349
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name3,5-dimethyl-1H-pyrrole-2-carbohydrazide
SMILESCc1cc(C)c(C(=O)NN)[nH]1
InChIInChI=1S/C7H11N3O/c1-4-3-5(2)9-6(4)7(11)10-8/h3,9H,8H2,1-2H3,(H,10,11)
InChIKeyJKCBUCBMQGSHIV-UHFFFAOYSA-N
XLogP0.24
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-1H-pyrrole-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 3,5-dimethyl-1H-pyrrole-2-carbohydrazide (CID 45084349) is 3,5-dimethyl-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 3,5-dimethyl-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 3,5-dimethyl-1H-pyrrole-2-carbohydrazide is Cc1cc(C)c(C(=O)NN)[nH]1.
What is the InChIKey of 3,5-dimethyl-1H-pyrrole-2-carbohydrazide?
The InChIKey is JKCBUCBMQGSHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-4-3-5(2)9-6(4)7(11)10-8/h3,9H,8H2,1-2H3,(H,10,11).
What are the key properties of 3,5-dimethyl-1H-pyrrole-2-carbohydrazide?
3,5-dimethyl-1H-pyrrole-2-carbohydrazide has a molecular weight of 153.18 g/mol, XLogP of 0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 45084349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).