5-chloro-N'-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methoxybenzohydrazide

C19H23ClN6O3S — CID 16586344

IUPAC5-chloro-N'-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methoxybenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nnc(N2CCCC2)n1C1CC1
InChIInChI=1S/C19H23ClN6O3S/c1-29-15-7-4-12(20)10-14(15)17(28)22-21-16(27)11-30-19-24-23-18(25-8-2-3-9-25)26(19)13-5-6-13/h4,7,10,13H,2-3,5-6,8-9,11H2,1H3,(H,21,27)(H,22,28)
InChIKeyJDGDYARLONKWNC-UHFFFAOYSA-N
MW450.95 g/mol
LogP2.43
Rot. Bonds7

About 5-chloro-N'-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methoxybenzohydrazide

5-chloro-N'-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methoxybenzohydrazide (PubChem CID 16586344) has the molecular formula C19H23ClN6O3S and a molecular weight of 450.95 g/mol. Its IUPAC name is 5-chloro-N'-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methoxybenzohydrazide.

Molecular Properties

Compound Name5-chloro-N'-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methoxybenzohydrazide
PubChem CID16586344
Molecular FormulaC19H23ClN6O3S
Molecular Weight450.95 g/mol
Exact Mass450.12
IUPAC Name5-chloro-N'-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methoxybenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nnc(N2CCCC2)n1C1CC1
InChIInChI=1S/C19H23ClN6O3S/c1-29-15-7-4-12(20)10-14(15)17(28)22-21-16(27)11-30-19-24-23-18(25-8-2-3-9-25)26(19)13-5-6-13/h4,7,10,13H,2-3,5-6,8-9,11H2,1H3,(H,21,27)(H,22,28)
InChIKeyJDGDYARLONKWNC-UHFFFAOYSA-N
XLogP2.43
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.95
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-chloro-N'-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methoxybenzohydrazide 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

2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 16585998
N-(4-chlorophenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24591507
5-chloro-2-methoxy-N'-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 146087102
N-(3-chloro-4-methoxyphenyl)-2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16586434
2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide
CID 16586058
5-chloro-2-methoxy-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 16539064
N-(3-chloro-4-methylphenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24591473
5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide
CID 9472212
2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 16586007
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
1-[5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]-4-methylpiperidine
CID 55496743
2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide
CID 16586459

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methoxybenzohydrazide?
The IUPAC name of 5-chloro-N'-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methoxybenzohydrazide (CID 16586344) is 5-chloro-N'-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methoxybenzohydrazide.
What is the SMILES notation for 5-chloro-N'-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methoxybenzohydrazide?
The canonical SMILES for 5-chloro-N'-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methoxybenzohydrazide is COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nnc(N2CCCC2)n1C1CC1.
What is the InChIKey of 5-chloro-N'-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methoxybenzohydrazide?
The InChIKey is JDGDYARLONKWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6O3S/c1-29-15-7-4-12(20)10-14(15)17(28)22-21-16(27)11-30-19-24-23-18(25-8-2-3-9-25)26(19)13-5-6-13/h4,7,10,13H,2-3,5-6,8-9,11H2,1H3,(H,21,27)(H,22,28).
What are the key properties of 5-chloro-N'-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methoxybenzohydrazide?
5-chloro-N'-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methoxybenzohydrazide has a molecular weight of 450.95 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methoxybenzohydrazide is sourced from PubChem (CID 16586344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).