N'-(1-benzylpyrrole-2-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide

C22H19N5O2 — CID 55560641

IUPACN'-(1-benzylpyrrole-2-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cccn1Cc1ccccc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C22H19N5O2/c28-21(19-14-18(23-24-19)17-10-5-2-6-11-17)25-26-22(29)20-12-7-13-27(20)15-16-8-3-1-4-9-16/h1-14H,15H2,(H,23,24)(H,25,28)(H,26,29)
InChIKeyKGSIEPZUMGLXTL-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.00
Rot. Bonds5

About N'-(1-benzylpyrrole-2-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide

N'-(1-benzylpyrrole-2-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide (PubChem CID 55560641) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N'-(1-benzylpyrrole-2-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(1-benzylpyrrole-2-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
PubChem CID55560641
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC NameN'-(1-benzylpyrrole-2-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cccn1Cc1ccccc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C22H19N5O2/c28-21(19-14-18(23-24-19)17-10-5-2-6-11-17)25-26-22(29)20-12-7-13-27(20)15-16-8-3-1-4-9-16/h1-14H,15H2,(H,23,24)(H,25,28)(H,26,29)
InChIKeyKGSIEPZUMGLXTL-UHFFFAOYSA-N
XLogP3.00
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.00
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

3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27698464
N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27689068
N'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27672307
N'-(2,2-diphenylacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 4787905
N'-(2,5-dimethylthiophene-3-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 17486234
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 8889318
3-phenyl-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]-1H-pyrazole-5-carbohydrazide
CID 7907311
1-benzyl-N-methoxypyrrole-2-carboxamide
CID 52568041
3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide
CID 40671857
N'-(3-methylsulfanylpropanoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 18164415
1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide
CID 52575128

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzylpyrrole-2-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-(1-benzylpyrrole-2-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide (CID 55560641) is N'-(1-benzylpyrrole-2-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-(1-benzylpyrrole-2-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-(1-benzylpyrrole-2-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide is O=C(NNC(=O)c1cccn1Cc1ccccc1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N'-(1-benzylpyrrole-2-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The InChIKey is KGSIEPZUMGLXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c28-21(19-14-18(23-24-19)17-10-5-2-6-11-17)25-26-22(29)20-12-7-13-27(20)15-16-8-3-1-4-9-16/h1-14H,15H2,(H,23,24)(H,25,28)(H,26,29).
What are the key properties of N'-(1-benzylpyrrole-2-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
N'-(1-benzylpyrrole-2-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide has a molecular weight of 385.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzylpyrrole-2-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 55560641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).