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

C19H20N4O2 — CID 685671

IUPACN'-[(3S)-2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl]benzohydrazide
SMILESCC1=NN(C(=O)c2ccccc2)[C@](C)(NNC(=O)c2ccccc2)C1
InChIInChI=1S/C19H20N4O2/c1-14-13-19(2,22-20-17(24)15-9-5-3-6-10-15)23(21-14)18(25)16-11-7-4-8-12-16/h3-12,22H,13H2,1-2H3,(H,20,24)/t19-/m0/s1
InChIKeyQOWIXBAPAHRTTO-IBGZPJMESA-N
MW336.40 g/mol
LogP2.56
Rot. Bonds4

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

N'-[(3S)-2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl]benzohydrazide (PubChem CID 685671) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N'-[(3S)-2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[(3S)-2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl]benzohydrazide
PubChem CID685671
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN'-[(3S)-2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl]benzohydrazide
SMILESCC1=NN(C(=O)c2ccccc2)[C@](C)(NNC(=O)c2ccccc2)C1
InChIInChI=1S/C19H20N4O2/c1-14-13-19(2,22-20-17(24)15-9-5-3-6-10-15)23(21-14)18(25)16-11-7-4-8-12-16/h3-12,22H,13H2,1-2H3,(H,20,24)/t19-/m0/s1
InChIKeyQOWIXBAPAHRTTO-IBGZPJMESA-N
XLogP2.56
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.56
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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Related Compounds

(5-tert-butyl-5-hydroxy-3-methyl-4H-pyrazol-1-yl)-phenylmethanone
CID 3101234
[(5R)-5-hydroxy-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 126009084
[(5S)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-phenylmethanone
CID 781848
[5-[anilino(methyl)amino]-3,5-dimethyl-4H-pyrazol-1-yl]-phenylmethanone
CID 23879108
[(5R)-5-hydroxy-3-methyl-5-(4-methylphenyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 1387345
[(5S)-5-hydroxy-3-methyl-5-(4-methylphenyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 1387344
[(5R)-5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl]-phenylmethanone
CID 51426988
(4-bromophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
CID 2884136
(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone
CID 2845042
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone
CID 615660
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone
CID 578749
[(5R)-5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 685721

Frequently Asked Questions

What is the IUPAC name of N'-[(3S)-2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl]benzohydrazide?
The IUPAC name of N'-[(3S)-2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl]benzohydrazide (CID 685671) is N'-[(3S)-2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl]benzohydrazide.
What is the SMILES notation for N'-[(3S)-2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl]benzohydrazide?
The canonical SMILES for N'-[(3S)-2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl]benzohydrazide is CC1=NN(C(=O)c2ccccc2)[C@](C)(NNC(=O)c2ccccc2)C1.
What is the InChIKey of N'-[(3S)-2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl]benzohydrazide?
The InChIKey is QOWIXBAPAHRTTO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-13-19(2,22-20-17(24)15-9-5-3-6-10-15)23(21-14)18(25)16-11-7-4-8-12-16/h3-12,22H,13H2,1-2H3,(H,20,24)/t19-/m0/s1.
What are the key properties of N'-[(3S)-2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl]benzohydrazide?
N'-[(3S)-2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl]benzohydrazide has a molecular weight of 336.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3S)-2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl]benzohydrazide is sourced from PubChem (CID 685671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).