5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]pyrazole-4-carbohydrazide

C22H21Cl2N5O3 — CID 55629182

IUPAC5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]pyrazole-4-carbohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C2CC2)cc1
InChIInChI=1S/C22H21Cl2N5O3/c1-32-16-7-5-15(6-8-16)25-12-20(30)27-28-22(31)17-11-26-29(21(17)13-2-3-13)19-9-4-14(23)10-18(19)24/h4-11,13,25H,2-3,12H2,1H3,(H,27,30)(H,28,31)
InChIKeyRRHMKJMSJGNNTR-UHFFFAOYSA-N
MW474.35 g/mol
LogP3.94
Rot. Bonds7

About 5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]pyrazole-4-carbohydrazide

5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]pyrazole-4-carbohydrazide (PubChem CID 55629182) has the molecular formula C22H21Cl2N5O3 and a molecular weight of 474.35 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]pyrazole-4-carbohydrazide
PubChem CID55629182
Molecular FormulaC22H21Cl2N5O3
Molecular Weight474.35 g/mol
Exact Mass473.10
IUPAC Name5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]pyrazole-4-carbohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C2CC2)cc1
InChIInChI=1S/C22H21Cl2N5O3/c1-32-16-7-5-15(6-8-16)25-12-20(30)27-28-22(31)17-11-26-29(21(17)13-2-3-13)19-9-4-14(23)10-18(19)24/h4-11,13,25H,2-3,12H2,1H3,(H,27,30)(H,28,31)
InChIKeyRRHMKJMSJGNNTR-UHFFFAOYSA-N
XLogP3.94
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.35
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-4-carbohydrazide
CID 55616369
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]pyrazole-4-carboxamide
CID 55609258
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)pyrazole-4-carboxamide
CID 55604750
ethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
CID 56558481
propan-2-yl (2S)-3-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-methylpropanoate
CID 95782154
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide
CID 55604519
5-(4-chlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]-1H-pyrazole-4-carbohydrazide
CID 55497230
N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
CID 55982898
N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(4-methoxyanilino)acetohydrazide
CID 18206228
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
CID 55606584
ethyl 1-(2-chloro-5-methoxyphenyl)-5-cyclopropylpyrazole-4-carboxylate
CID 22267642
2,5-dimethoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide
CID 55361417

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]pyrazole-4-carbohydrazide?
The IUPAC name of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]pyrazole-4-carbohydrazide (CID 55629182) is 5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]pyrazole-4-carbohydrazide.
What is the SMILES notation for 5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]pyrazole-4-carbohydrazide?
The canonical SMILES for 5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]pyrazole-4-carbohydrazide is COc1ccc(NCC(=O)NNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]pyrazole-4-carbohydrazide?
The InChIKey is RRHMKJMSJGNNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N5O3/c1-32-16-7-5-15(6-8-16)25-12-20(30)27-28-22(31)17-11-26-29(21(17)13-2-3-13)19-9-4-14(23)10-18(19)24/h4-11,13,25H,2-3,12H2,1H3,(H,27,30)(H,28,31).
What are the key properties of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]pyrazole-4-carbohydrazide?
5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]pyrazole-4-carbohydrazide has a molecular weight of 474.35 g/mol, XLogP of 3.94, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]pyrazole-4-carbohydrazide is sourced from PubChem (CID 55629182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).