N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide

C20H18N4O2 — CID 27555772

IUPACN'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18N4O2/c25-19(15-7-3-1-4-8-15)21-22-20(26)18-13-17(14-11-12-14)23-24(18)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,21,25)(H,22,26)
InChIKeyUXOIPLQRBUCWFK-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.82
Rot. Bonds4

About N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide

N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide (PubChem CID 27555772) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
PubChem CID27555772
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18N4O2/c25-19(15-7-3-1-4-8-15)21-22-20(26)18-13-17(14-11-12-14)23-24(18)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,21,25)(H,22,26)
InChIKeyUXOIPLQRBUCWFK-UHFFFAOYSA-N
XLogP2.82
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide?
The IUPAC name of N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide (CID 27555772) is N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide.
What is the SMILES notation for N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide?
The canonical SMILES for N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide is O=C(NNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide?
The InChIKey is UXOIPLQRBUCWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-19(15-7-3-1-4-8-15)21-22-20(26)18-13-17(14-11-12-14)23-24(18)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,21,25)(H,22,26).
What are the key properties of N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide?
N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide has a molecular weight of 346.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide is sourced from PubChem (CID 27555772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).