5-methyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide

C11H13N5O — CID 6867363

IUPAC5-methyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2cccn2C)n[nH]1
InChIInChI=1S/C11H13N5O/c1-8-6-10(14-13-8)11(17)15-12-7-9-4-3-5-16(9)2/h3-7H,1-2H3,(H,13,14)(H,15,17)/b12-7+
InChIKeyZFSQBPVIFJMVAA-KPKJPENVSA-N
MW231.26 g/mol
LogP0.82
Rot. Bonds3

About 5-methyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide

5-methyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 6867363) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-methyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID6867363
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name5-methyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2cccn2C)n[nH]1
InChIInChI=1S/C11H13N5O/c1-8-6-10(14-13-8)11(17)15-12-7-9-4-3-5-16(9)2/h3-7H,1-2H3,(H,13,14)(H,15,17)/b12-7+
InChIKeyZFSQBPVIFJMVAA-KPKJPENVSA-N
XLogP0.82
TPSA75.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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
1-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-3-carbohydrazide
CID 5412145
3-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6871425
3-(1-ME-1H-Pyrrol-2-YL)-N'-(3-PH-2-propenylidene)-1H-pyrazole-5-carbohydrazide
CID 6900541
1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
CID 5424915
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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide (CID 6867363) is 5-methyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N/N=C/c2cccn2C)n[nH]1.
What is the InChIKey of 5-methyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is ZFSQBPVIFJMVAA-KPKJPENVSA-N. The full InChI is InChI=1S/C11H13N5O/c1-8-6-10(14-13-8)11(17)15-12-7-9-4-3-5-16(9)2/h3-7H,1-2H3,(H,13,14)(H,15,17)/b12-7+.
What are the key properties of 5-methyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide?
5-methyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6867363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).