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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Related Compounds

N'-((E,2E)-2-Methyl-3-phenyl-2-propenylidene)-3-(1-methyl-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 6869472
3-Ethyl-4-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872295
3-(1-ME-1H-Pyrrol-2-YL)-N'-(3-PH-2-propenylidene)-1H-pyrazole-5-carbohydrazide
CID 6900541
5-tert-butyl-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 5726253
5-tert-butyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 6862370
1-methyl-N'-[(E)-pyridin-3-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6884360
N'-(4-Fluorobenzylidene)-5-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazole-3-carbohydrazide
CID 9594599
3-(Propan-2-YL)-N'-[(1E)-1-(pyridin-4-YL)ethylidene]-1H-pyrazole-5-carbohydrazide
CID 44723927
N-hydroxy-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 58465584
US10022354, Example 200
CID 132070229
5-(propan-2-yl)-N'-[(E)-pyridin-3-ylmethylidene]-1H-pyrazole-3-carbohydrazide
CID 6881196
5-tert-butyl-1-pentyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 162668719

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).