N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide

C22H24N4O — CID 2357068

IUPACN'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide
SMILESC=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)[C@H](C)CC
InChIInChI=1S/C22H24N4O/c1-4-16(2)17(3)23-24-22(27)20-15-26(19-13-9-6-10-14-19)25-21(20)18-11-7-5-8-12-18/h5-16,23H,3-4H2,1-2H3,(H,24,27)/t16-/m1/s1
InChIKeyFCNCEEBWHLIKSZ-MRXNPFEDSA-N
MW360.46 g/mol
LogP4.33
Rot. Bonds7

About N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide

N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide (PubChem CID 2357068) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide
PubChem CID2357068
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide
SMILESC=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)[C@H](C)CC
InChIInChI=1S/C22H24N4O/c1-4-16(2)17(3)23-24-22(27)20-15-26(19-13-9-6-10-14-19)25-21(20)18-11-7-5-8-12-18/h5-16,23H,3-4H2,1-2H3,(H,24,27)/t16-/m1/s1
InChIKeyFCNCEEBWHLIKSZ-MRXNPFEDSA-N
XLogP4.33
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.33
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

N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide
CID 36708528
N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide
CID 111429323
N-(1-hydroxypropan-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 78856855
1,3-diphenyl-N'-propylsulfonylpyrazole-4-carbohydrazide
CID 2431760
N'-[1-(2-fluorophenyl)ethenyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2425845
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 9227685
N-[1-(4-methylphenyl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281297
N-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 35001279
N-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide
CID 24650106
N'-(1,3-diphenylpyrazole-4-carbonyl)-2,3-dimethylquinoxaline-6-carbohydrazide
CID 55386846
N'-[2-(2-methoxyphenyl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 35000948

Frequently Asked Questions

What is the IUPAC name of N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide?
The IUPAC name of N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide (CID 2357068) is N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide is C=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)[C@H](C)CC.
What is the InChIKey of N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide?
The InChIKey is FCNCEEBWHLIKSZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-16(2)17(3)23-24-22(27)20-15-26(19-13-9-6-10-14-19)25-21(20)18-11-7-5-8-12-18/h5-16,23H,3-4H2,1-2H3,(H,24,27)/t16-/m1/s1.
What are the key properties of N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide?
N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide has a molecular weight of 360.46 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 2357068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).