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

C21H17Cl2FN4O2 — CID 55616369

IUPAC5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-4-carbohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1
InChIInChI=1S/C21H17Cl2FN4O2/c22-14-5-8-18(17(23)10-14)28-20(13-3-4-13)16(11-25-28)21(30)27-26-19(29)9-12-1-6-15(24)7-2-12/h1-2,5-8,10-11,13H,3-4,9H2,(H,26,29)(H,27,30)
InChIKeyVUQXXSQNBYLHLJ-UHFFFAOYSA-N
MW447.30 g/mol
LogP4.20
Rot. Bonds5

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

5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-4-carbohydrazide (PubChem CID 55616369) has the molecular formula C21H17Cl2FN4O2 and a molecular weight of 447.30 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-4-carbohydrazide
PubChem CID55616369
Molecular FormulaC21H17Cl2FN4O2
Molecular Weight447.30 g/mol
Exact Mass446.07
IUPAC Name5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-4-carbohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1
InChIInChI=1S/C21H17Cl2FN4O2/c22-14-5-8-18(17(23)10-14)28-20(13-3-4-13)16(11-25-28)21(30)27-26-19(29)9-12-1-6-15(24)7-2-12/h1-2,5-8,10-11,13H,3-4,9H2,(H,26,29)(H,27,30)
InChIKeyVUQXXSQNBYLHLJ-UHFFFAOYSA-N
XLogP4.20
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.30
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]pyrazole-4-carbohydrazide
CID 55629182
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
CID 55606584
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)pyrazole-4-carboxamide
CID 55604750
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 55795529
ethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
CID 56558481
N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
CID 55982898
[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methanol
CID 66438989
1-[4-chloro-2-(fluoromethyl)phenyl]-5-cyclopropylpyrazole-4-carboxylic acid
CID 22267607
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-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 39518259
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 55922376

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-4-carbohydrazide?
The IUPAC name of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-4-carbohydrazide (CID 55616369) is 5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-4-carbohydrazide.
What is the SMILES notation for 5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-4-carbohydrazide?
The canonical SMILES for 5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-4-carbohydrazide is O=C(Cc1ccc(F)cc1)NNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-4-carbohydrazide?
The InChIKey is VUQXXSQNBYLHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2FN4O2/c22-14-5-8-18(17(23)10-14)28-20(13-3-4-13)16(11-25-28)21(30)27-26-19(29)9-12-1-6-15(24)7-2-12/h1-2,5-8,10-11,13H,3-4,9H2,(H,26,29)(H,27,30).
What are the key properties of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-4-carbohydrazide?
5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-4-carbohydrazide has a molecular weight of 447.30 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-4-carbohydrazide is sourced from PubChem (CID 55616369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).