N'-[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]oxolane-2-carbohydrazide

C23H23N5O3 — CID 60556403

IUPACN'-[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]oxolane-2-carbohydrazide
SMILESO=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)NNC(=O)C1CCCO1
InChIInChI=1S/C23H23N5O3/c29-21(25-26-23(30)20-9-5-13-31-20)11-10-19-16-28(15-17-6-2-1-3-7-17)27-22(19)18-8-4-12-24-14-18/h1-4,6-8,10-12,14,16,20H,5,9,13,15H2,(H,25,29)(H,26,30)/b11-10+
InChIKeyNDZHJMBXOOEDSE-ZHACJKMWSA-N
MW417.47 g/mol
LogP2.33
Rot. Bonds6

About N'-[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]oxolane-2-carbohydrazide

N'-[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]oxolane-2-carbohydrazide (PubChem CID 60556403) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N'-[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]oxolane-2-carbohydrazide
PubChem CID60556403
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN'-[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]oxolane-2-carbohydrazide
SMILESO=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)NNC(=O)C1CCCO1
InChIInChI=1S/C23H23N5O3/c29-21(25-26-23(30)20-9-5-13-31-20)11-10-19-16-28(15-17-6-2-1-3-7-17)27-22(19)18-8-4-12-24-14-18/h1-4,6-8,10-12,14,16,20H,5,9,13,15H2,(H,25,29)(H,26,30)/b11-10+
InChIKeyNDZHJMBXOOEDSE-ZHACJKMWSA-N
XLogP2.33
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]oxolane-2-carbohydrazide with MolForge

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Related Compounds

N'-[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]-2-fluorobenzohydrazide
CID 31304372
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-(2-hydroxyethyl)prop-2-enamide
CID 78838719
(E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 43016025
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-pentan-3-ylprop-2-enamide
CID 24680908
3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-(4-morpholin-4-ylbutyl)prop-2-enamide
CID 55965249
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]prop-2-enamide
CID 134049566
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 60576653
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-1-(4-tert-butylphenyl)prop-2-en-1-one
CID 7967109
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-ethyl-N-methylprop-2-enamide
CID 134005696
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 7947167
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-(4-methylsulfanylphenyl)prop-2-enamide
CID 37289245
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(2R)-1-methoxypropan-2-yl]prop-2-enamide
CID 52892746

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]oxolane-2-carbohydrazide?
The IUPAC name of N'-[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]oxolane-2-carbohydrazide (CID 60556403) is N'-[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]oxolane-2-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]oxolane-2-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]oxolane-2-carbohydrazide is O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)NNC(=O)C1CCCO1.
What is the InChIKey of N'-[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]oxolane-2-carbohydrazide?
The InChIKey is NDZHJMBXOOEDSE-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H23N5O3/c29-21(25-26-23(30)20-9-5-13-31-20)11-10-19-16-28(15-17-6-2-1-3-7-17)27-22(19)18-8-4-12-24-14-18/h1-4,6-8,10-12,14,16,20H,5,9,13,15H2,(H,25,29)(H,26,30)/b11-10+.
What are the key properties of N'-[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]oxolane-2-carbohydrazide?
N'-[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]oxolane-2-carbohydrazide has a molecular weight of 417.47 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 60556403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).