3-tert-butyl-1-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazole-5-carbohydrazide

C15H21N5O2 — CID 87033202

IUPAC3-tert-butyl-1-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazole-5-carbohydrazide
SMILESCn1cccc1C(=O)NNC(=O)c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C15H21N5O2/c1-15(2,3)12-9-11(20(5)18-12)14(22)17-16-13(21)10-7-6-8-19(10)4/h6-9H,1-5H3,(H,16,21)(H,17,22)
InChIKeyCSTCNPGXFNKACD-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.13
Rot. Bonds2

About 3-tert-butyl-1-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazole-5-carbohydrazide

3-tert-butyl-1-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazole-5-carbohydrazide (PubChem CID 87033202) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazole-5-carbohydrazide
PubChem CID87033202
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name3-tert-butyl-1-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazole-5-carbohydrazide
SMILESCn1cccc1C(=O)NNC(=O)c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C15H21N5O2/c1-15(2,3)12-9-11(20(5)18-12)14(22)17-16-13(21)10-7-6-8-19(10)4/h6-9H,1-5H3,(H,16,21)(H,17,22)
InChIKeyCSTCNPGXFNKACD-UHFFFAOYSA-N
XLogP1.13
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.13
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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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazole-5-carbohydrazide?
The IUPAC name of 3-tert-butyl-1-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazole-5-carbohydrazide (CID 87033202) is 3-tert-butyl-1-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-tert-butyl-1-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazole-5-carbohydrazide?
The canonical SMILES for 3-tert-butyl-1-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazole-5-carbohydrazide is Cn1cccc1C(=O)NNC(=O)c1cc(C(C)(C)C)nn1C.
What is the InChIKey of 3-tert-butyl-1-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazole-5-carbohydrazide?
The InChIKey is CSTCNPGXFNKACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-15(2,3)12-9-11(20(5)18-12)14(22)17-16-13(21)10-7-6-8-19(10)4/h6-9H,1-5H3,(H,16,21)(H,17,22).
What are the key properties of 3-tert-butyl-1-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazole-5-carbohydrazide?
3-tert-butyl-1-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazole-5-carbohydrazide has a molecular weight of 303.37 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazole-5-carbohydrazide is sourced from PubChem (CID 87033202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).