N'-[(3S)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide

C20H22N4O2 — CID 7073860

IUPACN'-[(3S)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide
SMILESCCC1=NN(C(=O)c2ccccc2)[C@](C)(NNC(=O)c2ccccc2)C1
InChIInChI=1S/C20H22N4O2/c1-3-17-14-20(2,23-21-18(25)15-10-6-4-7-11-15)24(22-17)19(26)16-12-8-5-9-13-16/h4-13,23H,3,14H2,1-2H3,(H,21,25)/t20-/m0/s1
InChIKeyPXJFKGXQQOFJSH-FQEVSTJZSA-N
MW350.42 g/mol
LogP2.95
Rot. Bonds5

About N'-[(3S)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide

N'-[(3S)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide (PubChem CID 7073860) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N'-[(3S)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[(3S)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide
PubChem CID7073860
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN'-[(3S)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide
SMILESCCC1=NN(C(=O)c2ccccc2)[C@](C)(NNC(=O)c2ccccc2)C1
InChIInChI=1S/C20H22N4O2/c1-3-17-14-20(2,23-21-18(25)15-10-6-4-7-11-15)24(22-17)19(26)16-12-8-5-9-13-16/h4-13,23H,3,14H2,1-2H3,(H,21,25)/t20-/m0/s1
InChIKeyPXJFKGXQQOFJSH-FQEVSTJZSA-N
XLogP2.95
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.95
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'-[(3S)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide?
The IUPAC name of N'-[(3S)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide (CID 7073860) is N'-[(3S)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide.
What is the SMILES notation for N'-[(3S)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide?
The canonical SMILES for N'-[(3S)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide is CCC1=NN(C(=O)c2ccccc2)[C@](C)(NNC(=O)c2ccccc2)C1.
What is the InChIKey of N'-[(3S)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide?
The InChIKey is PXJFKGXQQOFJSH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-17-14-20(2,23-21-18(25)15-10-6-4-7-11-15)24(22-17)19(26)16-12-8-5-9-13-16/h4-13,23H,3,14H2,1-2H3,(H,21,25)/t20-/m0/s1.
What are the key properties of N'-[(3S)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide?
N'-[(3S)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide has a molecular weight of 350.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3S)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide is sourced from PubChem (CID 7073860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).