N'-(2-pyrazol-1-ylbenzoyl)-1H-pyrrole-2-carbohydrazide

C15H13N5O2 — CID 78887623

IUPACN'-(2-pyrazol-1-ylbenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1-n1cccn1)c1ccc[nH]1
InChIInChI=1S/C15H13N5O2/c21-14(18-19-15(22)12-6-3-8-16-12)11-5-1-2-7-13(11)20-10-4-9-17-20/h1-10,16H,(H,18,21)(H,19,22)
InChIKeyFYQNMGBRDLFABA-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.28
Rot. Bonds3

About N'-(2-pyrazol-1-ylbenzoyl)-1H-pyrrole-2-carbohydrazide

N'-(2-pyrazol-1-ylbenzoyl)-1H-pyrrole-2-carbohydrazide (PubChem CID 78887623) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is N'-(2-pyrazol-1-ylbenzoyl)-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-pyrazol-1-ylbenzoyl)-1H-pyrrole-2-carbohydrazide
PubChem CID78887623
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC NameN'-(2-pyrazol-1-ylbenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1-n1cccn1)c1ccc[nH]1
InChIInChI=1S/C15H13N5O2/c21-14(18-19-15(22)12-6-3-8-16-12)11-5-1-2-7-13(11)20-10-4-9-17-20/h1-10,16H,(H,18,21)(H,19,22)
InChIKeyFYQNMGBRDLFABA-UHFFFAOYSA-N
XLogP1.28
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(tetrazol-1-yl)benzoyl]-1H-pyrrole-2-carbohydrazide
CID 78828822
N-hexyl-2-pyrazol-1-ylbenzamide
CID 47213393
N'-(2-pyrazol-1-ylbenzoyl)oxolane-2-carbohydrazide
CID 87045357
5-methyl-1-pyridin-2-yl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
CID 78861089
N'-(2-phenoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 78813077
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrazol-1-ylbenzamide
CID 86823053
3,4-dichloro-N-[2-[(2-pyrazol-1-ylbenzoyl)amino]ethyl]benzamide
CID 78888408
benzyl 2-[(2-pyrazol-1-ylbenzoyl)amino]acetate
CID 87002296
2-(difluoromethylsulfanyl)-N'-(1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide
CID 78813989
methyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate
CID 86991803
N-[3-[(2-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-4-carboxamide
CID 167847500
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-pyrazol-1-ylbenzamide
CID 87004293

Frequently Asked Questions

What is the IUPAC name of N'-(2-pyrazol-1-ylbenzoyl)-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-(2-pyrazol-1-ylbenzoyl)-1H-pyrrole-2-carbohydrazide (CID 78887623) is N'-(2-pyrazol-1-ylbenzoyl)-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-(2-pyrazol-1-ylbenzoyl)-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-(2-pyrazol-1-ylbenzoyl)-1H-pyrrole-2-carbohydrazide is O=C(NNC(=O)c1ccccc1-n1cccn1)c1ccc[nH]1.
What is the InChIKey of N'-(2-pyrazol-1-ylbenzoyl)-1H-pyrrole-2-carbohydrazide?
The InChIKey is FYQNMGBRDLFABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c21-14(18-19-15(22)12-6-3-8-16-12)11-5-1-2-7-13(11)20-10-4-9-17-20/h1-10,16H,(H,18,21)(H,19,22).
What are the key properties of N'-(2-pyrazol-1-ylbenzoyl)-1H-pyrrole-2-carbohydrazide?
N'-(2-pyrazol-1-ylbenzoyl)-1H-pyrrole-2-carbohydrazide has a molecular weight of 295.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-pyrazol-1-ylbenzoyl)-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 78887623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).