5-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide

C10H11N5O — CID 135521545

IUPAC5-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2ccc[nH]2)n[nH]1
InChIInChI=1S/C10H11N5O/c1-7-5-9(14-13-7)10(16)15-12-6-8-3-2-4-11-8/h2-6,11H,1H3,(H,13,14)(H,15,16)/b12-6+
InChIKeyOXYWSTQRYPWJRD-WUXMJOGZSA-N
MW217.23 g/mol
LogP0.81
Rot. Bonds3

About 5-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide

5-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 135521545) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID135521545
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name5-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2ccc[nH]2)n[nH]1
InChIInChI=1S/C10H11N5O/c1-7-5-9(14-13-7)10(16)15-12-6-8-3-2-4-11-8/h2-6,11H,1H3,(H,13,14)(H,15,16)/b12-6+
InChIKeyOXYWSTQRYPWJRD-WUXMJOGZSA-N
XLogP0.81
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

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
1H-pyrrole-2-carbohydrazide
CID 281610
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
3-(Propan-2-YL)-N'-[(1E)-1-(pyridin-4-YL)ethylidene]-1H-pyrazole-5-carbohydrazide
CID 44723927
US10022354, Example 200
CID 132070229

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide (CID 135521545) is 5-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N/N=C/c2ccc[nH]2)n[nH]1.
What is the InChIKey of 5-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is OXYWSTQRYPWJRD-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H11N5O/c1-7-5-9(14-13-7)10(16)15-12-6-8-3-2-4-11-8/h2-6,11H,1H3,(H,13,14)(H,15,16)/b12-6+.
What are the key properties of 5-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
5-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135521545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).