N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]-2,4-dimethylbenzohydrazide

C22H24N4O2S — CID 9276647

IUPACN'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CSc2c(C)nn(-c3ccccc3)c2C)c(C)c1
InChIInChI=1S/C22H24N4O2S/c1-14-10-11-19(15(2)12-14)22(28)24-23-20(27)13-29-21-16(3)25-26(17(21)4)18-8-6-5-7-9-18/h5-12H,13H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyJGGQVQNKXSDMPK-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.66
Rot. Bonds5

About N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]-2,4-dimethylbenzohydrazide

N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]-2,4-dimethylbenzohydrazide (PubChem CID 9276647) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]-2,4-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]-2,4-dimethylbenzohydrazide
PubChem CID9276647
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CSc2c(C)nn(-c3ccccc3)c2C)c(C)c1
InChIInChI=1S/C22H24N4O2S/c1-14-10-11-19(15(2)12-14)22(28)24-23-20(27)13-29-21-16(3)25-26(17(21)4)18-8-6-5-7-9-18/h5-12H,13H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyJGGQVQNKXSDMPK-UHFFFAOYSA-N
XLogP3.66
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.66
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-dimethylphenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetamide
CID 9034224
5-chloro-N'-(2,4-dimethylbenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide
CID 18225535
N-(2-chlorophenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetamide
CID 9032028
N-(3-acetylphenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetamide
CID 9209621
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7354810
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetate
CID 8944715
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528207
N-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 9084877
N-[4-(cyanomethyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetamide
CID 9260919
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51275540
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide
CID 26614017
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
CID 78762299

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]-2,4-dimethylbenzohydrazide?
The IUPAC name of N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]-2,4-dimethylbenzohydrazide (CID 9276647) is N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]-2,4-dimethylbenzohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]-2,4-dimethylbenzohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]-2,4-dimethylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)CSc2c(C)nn(-c3ccccc3)c2C)c(C)c1.
What is the InChIKey of N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]-2,4-dimethylbenzohydrazide?
The InChIKey is JGGQVQNKXSDMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-14-10-11-19(15(2)12-14)22(28)24-23-20(27)13-29-21-16(3)25-26(17(21)4)18-8-6-5-7-9-18/h5-12H,13H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]-2,4-dimethylbenzohydrazide?
N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]-2,4-dimethylbenzohydrazide has a molecular weight of 408.53 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]-2,4-dimethylbenzohydrazide is sourced from PubChem (CID 9276647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).