N'-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

C25H24N6O3S — CID 46656625

IUPACN'-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESCc1ccc(-n2cc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C25H24N6O3S/c1-17-7-9-19(10-8-17)31-15-20(22(29-31)18-5-3-2-4-6-18)23(32)27-28-24(33)21-16-35-25(26-21)30-11-13-34-14-12-30/h2-10,15-16H,11-14H2,1H3,(H,27,32)(H,28,33)
InChIKeyUTAXOHANVYVVQC-UHFFFAOYSA-N
MW488.57 g/mol
LogP3.22
Rot. Bonds5

About N'-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

N'-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 46656625) has the molecular formula C25H24N6O3S and a molecular weight of 488.57 g/mol. Its IUPAC name is N'-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
PubChem CID46656625
Molecular FormulaC25H24N6O3S
Molecular Weight488.57 g/mol
Exact Mass488.16
IUPAC NameN'-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESCc1ccc(-n2cc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C25H24N6O3S/c1-17-7-9-19(10-8-17)31-15-20(22(29-31)18-5-3-2-4-6-18)23(32)27-28-24(33)21-16-35-25(26-21)30-11-13-34-14-12-30/h2-10,15-16H,11-14H2,1H3,(H,27,32)(H,28,33)
InChIKeyUTAXOHANVYVVQC-UHFFFAOYSA-N
XLogP3.22
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylphenyl)-N-(morpholine-4-carbothioyl)-1-phenylpyrazole-4-carboxamide
CID 2333898
2-morpholin-4-yl-N'-(1-phenylcyclopropanecarbonyl)-1,3-thiazole-4-carbohydrazide
CID 32810379
N'-(2,5-dimethylthiophene-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 24553635
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
3-(4-methylphenyl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-phenylpyrazole-4-carboxamide
CID 30825116
2-morpholin-4-yl-N'-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 46490625
3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2121799
2-morpholin-4-yl-N'-(2-phenoxypropanoyl)-1,3-thiazole-4-carbohydrazide
CID 18120608
N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120592
2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 55346400
N-(2-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 17482398
2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 18120603

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (CID 46656625) is N'-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is Cc1ccc(-n2cc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of N'-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is UTAXOHANVYVVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3S/c1-17-7-9-19(10-8-17)31-15-20(22(29-31)18-5-3-2-4-6-18)23(32)27-28-24(33)21-16-35-25(26-21)30-11-13-34-14-12-30/h2-10,15-16H,11-14H2,1H3,(H,27,32)(H,28,33).
What are the key properties of N'-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
N'-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 488.57 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 46656625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).