4-pyrrolidin-1-ylsulfonyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]benzohydrazide

C19H25N5O4S — CID 41331831

IUPAC4-pyrrolidin-1-ylsulfonyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]benzohydrazide
SMILESCc1nn(C)c(C)c1CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H25N5O4S/c1-13-17(14(2)23(3)22-13)12-18(25)20-21-19(26)15-6-8-16(9-7-15)29(27,28)24-10-4-5-11-24/h6-9H,4-5,10-12H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyKZKXSBKKVURANY-UHFFFAOYSA-N
MW419.51 g/mol
LogP0.83
Rot. Bonds5

About 4-pyrrolidin-1-ylsulfonyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]benzohydrazide

4-pyrrolidin-1-ylsulfonyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]benzohydrazide (PubChem CID 41331831) has the molecular formula C19H25N5O4S and a molecular weight of 419.51 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylsulfonyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-pyrrolidin-1-ylsulfonyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]benzohydrazide
PubChem CID41331831
Molecular FormulaC19H25N5O4S
Molecular Weight419.51 g/mol
Exact Mass419.16
IUPAC Name4-pyrrolidin-1-ylsulfonyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]benzohydrazide
SMILESCc1nn(C)c(C)c1CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H25N5O4S/c1-13-17(14(2)23(3)22-13)12-18(25)20-21-19(26)15-6-8-16(9-7-15)29(27,28)24-10-4-5-11-24/h6-9H,4-5,10-12H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyKZKXSBKKVURANY-UHFFFAOYSA-N
XLogP0.83
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-pyrrolidin-1-ylsulfonyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,2-oxazole-4-carbohydrazide
CID 9327405
4-morpholin-4-ylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 8894997
2-methyl-1-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111950847
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55474079
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 29169317
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 33038542
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
N'-(3,3-dimethylbutanoyl)-4-(4-methylpiperazin-1-yl)sulfonylbenzohydrazide
CID 25478585
1-methyl-6-oxo-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-4,5-dihydropyridazine-3-carbohydrazide
CID 27020251
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 30037448
N'-[2-(4-methylphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 29205480
N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 9327417

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylsulfonyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]benzohydrazide?
The IUPAC name of 4-pyrrolidin-1-ylsulfonyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]benzohydrazide (CID 41331831) is 4-pyrrolidin-1-ylsulfonyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]benzohydrazide.
What is the SMILES notation for 4-pyrrolidin-1-ylsulfonyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]benzohydrazide?
The canonical SMILES for 4-pyrrolidin-1-ylsulfonyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]benzohydrazide is Cc1nn(C)c(C)c1CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 4-pyrrolidin-1-ylsulfonyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]benzohydrazide?
The InChIKey is KZKXSBKKVURANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4S/c1-13-17(14(2)23(3)22-13)12-18(25)20-21-19(26)15-6-8-16(9-7-15)29(27,28)24-10-4-5-11-24/h6-9H,4-5,10-12H2,1-3H3,(H,20,25)(H,21,26).
What are the key properties of 4-pyrrolidin-1-ylsulfonyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]benzohydrazide?
4-pyrrolidin-1-ylsulfonyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]benzohydrazide has a molecular weight of 419.51 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylsulfonyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]benzohydrazide is sourced from PubChem (CID 41331831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).