5-(4-chlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]-1H-pyrazole-4-carbohydrazide

C19H18ClN5O3 — CID 55497230

IUPAC5-(4-chlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]-1H-pyrazole-4-carbohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H18ClN5O3/c1-28-15-8-6-14(7-9-15)21-11-17(26)23-25-19(27)16-10-22-24-18(16)12-2-4-13(20)5-3-12/h2-10,21H,11H2,1H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyAXEZYYFHQVQQSF-UHFFFAOYSA-N
MW399.84 g/mol
LogP2.61
Rot. Bonds6

About 5-(4-chlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]-1H-pyrazole-4-carbohydrazide

5-(4-chlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]-1H-pyrazole-4-carbohydrazide (PubChem CID 55497230) has the molecular formula C19H18ClN5O3 and a molecular weight of 399.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]-1H-pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]-1H-pyrazole-4-carbohydrazide
PubChem CID55497230
Molecular FormulaC19H18ClN5O3
Molecular Weight399.84 g/mol
Exact Mass399.11
IUPAC Name5-(4-chlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]-1H-pyrazole-4-carbohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H18ClN5O3/c1-28-15-8-6-14(7-9-15)21-11-17(26)23-25-19(27)16-10-22-24-18(16)12-2-4-13(20)5-3-12/h2-10,21H,11H2,1H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyAXEZYYFHQVQQSF-UHFFFAOYSA-N
XLogP2.61
TPSA108.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-N'-(3-methylbutanoyl)-1H-pyrazole-4-carbohydrazide
CID 18138371
5-(4-chlorophenyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-pyrazole-4-carboxamide
CID 56527832
5-(4-methoxyphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]-1H-pyrazole-4-carboxamide
CID 96565233
N-(3-aminopropyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119405997
2,5-dimethoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide
CID 55361417
5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 20950773
5-(4-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17433645
N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(4-methoxyanilino)acetamide
CID 50751113
5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]pyrazole-4-carbohydrazide
CID 55629182
N-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 71824412
N-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78835476
N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(4-methoxyanilino)acetohydrazide
CID 18206228

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]-1H-pyrazole-4-carbohydrazide?
The IUPAC name of 5-(4-chlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]-1H-pyrazole-4-carbohydrazide (CID 55497230) is 5-(4-chlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]-1H-pyrazole-4-carbohydrazide.
What is the SMILES notation for 5-(4-chlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]-1H-pyrazole-4-carbohydrazide?
The canonical SMILES for 5-(4-chlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]-1H-pyrazole-4-carbohydrazide is COc1ccc(NCC(=O)NNC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]-1H-pyrazole-4-carbohydrazide?
The InChIKey is AXEZYYFHQVQQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O3/c1-28-15-8-6-14(7-9-15)21-11-17(26)23-25-19(27)16-10-22-24-18(16)12-2-4-13(20)5-3-12/h2-10,21H,11H2,1H3,(H,22,24)(H,23,26)(H,25,27).
What are the key properties of 5-(4-chlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]-1H-pyrazole-4-carbohydrazide?
5-(4-chlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]-1H-pyrazole-4-carbohydrazide has a molecular weight of 399.84 g/mol, XLogP of 2.61, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]-1H-pyrazole-4-carbohydrazide is sourced from PubChem (CID 55497230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).