N'-(2,5-dimethylfuran-3-carbonyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carbohydrazide

C24H22N4O3 — CID 26247359

IUPACN'-(2,5-dimethylfuran-3-carbonyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)c(C)o1
InChIInChI=1S/C24H22N4O3/c1-15-9-7-8-12-19(15)22-21(14-28(27-22)18-10-5-4-6-11-18)24(30)26-25-23(29)20-13-16(2)31-17(20)3/h4-14H,1-3H3,(H,25,29)(H,26,30)
InChIKeyXLIXZEKCGZPWGY-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.13
Rot. Bonds4

About N'-(2,5-dimethylfuran-3-carbonyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carbohydrazide

N'-(2,5-dimethylfuran-3-carbonyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carbohydrazide (PubChem CID 26247359) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N'-(2,5-dimethylfuran-3-carbonyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dimethylfuran-3-carbonyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carbohydrazide
PubChem CID26247359
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN'-(2,5-dimethylfuran-3-carbonyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)c(C)o1
InChIInChI=1S/C24H22N4O3/c1-15-9-7-8-12-19(15)22-21(14-28(27-22)18-10-5-4-6-11-18)24(30)26-25-23(29)20-13-16(2)31-17(20)3/h4-14H,1-3H3,(H,25,29)(H,26,30)
InChIKeyXLIXZEKCGZPWGY-UHFFFAOYSA-N
XLogP4.13
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17415770
N'-(2,5-dimethylfuran-3-carbonyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 26247367
3-(2,4-dimethylphenyl)-N'-(furan-2-carbonyl)-1-phenylpyrazole-4-carbohydrazide
CID 9366857
N-[(Z)-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 8518699
3-(2,4-dimethylphenyl)-N',1-diphenylpyrazole-4-carbohydrazide
CID 78774712
N-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 51548267
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 86951551
3-(2-methylphenyl)-1-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 29369411
(5-methyl-1,2-oxazol-3-yl)methyl 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 8955375
3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide
CID 26698161
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 41118334
3-(2-methylphenyl)-1-phenyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide
CID 146089712

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carbohydrazide?
The IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carbohydrazide (CID 26247359) is N'-(2,5-dimethylfuran-3-carbonyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(2,5-dimethylfuran-3-carbonyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-(2,5-dimethylfuran-3-carbonyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)c(C)o1.
What is the InChIKey of N'-(2,5-dimethylfuran-3-carbonyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carbohydrazide?
The InChIKey is XLIXZEKCGZPWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-15-9-7-8-12-19(15)22-21(14-28(27-22)18-10-5-4-6-11-18)24(30)26-25-23(29)20-13-16(2)31-17(20)3/h4-14H,1-3H3,(H,25,29)(H,26,30).
What are the key properties of N'-(2,5-dimethylfuran-3-carbonyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carbohydrazide?
N'-(2,5-dimethylfuran-3-carbonyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carbohydrazide has a molecular weight of 414.47 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylfuran-3-carbonyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 26247359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).