1-benzyl-5-chloro-N'-(4-fluorobenzoyl)-3-methylpyrazole-4-carbohydrazide

C19H16ClFN4O2 — CID 9037902

IUPAC1-benzyl-5-chloro-N'-(4-fluorobenzoyl)-3-methylpyrazole-4-carbohydrazide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H16ClFN4O2/c1-12-16(17(20)25(24-12)11-13-5-3-2-4-6-13)19(27)23-22-18(26)14-7-9-15(21)10-8-14/h2-10H,11H2,1H3,(H,22,26)(H,23,27)
InChIKeyNBGQMXHXGZSNRW-UHFFFAOYSA-N
MW386.81 g/mol
LogP3.11
Rot. Bonds4

About 1-benzyl-5-chloro-N'-(4-fluorobenzoyl)-3-methylpyrazole-4-carbohydrazide

1-benzyl-5-chloro-N'-(4-fluorobenzoyl)-3-methylpyrazole-4-carbohydrazide (PubChem CID 9037902) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is 1-benzyl-5-chloro-N'-(4-fluorobenzoyl)-3-methylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-5-chloro-N'-(4-fluorobenzoyl)-3-methylpyrazole-4-carbohydrazide
PubChem CID9037902
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC Name1-benzyl-5-chloro-N'-(4-fluorobenzoyl)-3-methylpyrazole-4-carbohydrazide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H16ClFN4O2/c1-12-16(17(20)25(24-12)11-13-5-3-2-4-6-13)19(27)23-22-18(26)14-7-9-15(21)10-8-14/h2-10H,11H2,1H3,(H,22,26)(H,23,27)
InChIKeyNBGQMXHXGZSNRW-UHFFFAOYSA-N
XLogP3.11
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-N'-(4-fluorobenzoyl)-3-methylpyrazole-4-carbohydrazide?
The IUPAC name of 1-benzyl-5-chloro-N'-(4-fluorobenzoyl)-3-methylpyrazole-4-carbohydrazide (CID 9037902) is 1-benzyl-5-chloro-N'-(4-fluorobenzoyl)-3-methylpyrazole-4-carbohydrazide.
What is the SMILES notation for 1-benzyl-5-chloro-N'-(4-fluorobenzoyl)-3-methylpyrazole-4-carbohydrazide?
The canonical SMILES for 1-benzyl-5-chloro-N'-(4-fluorobenzoyl)-3-methylpyrazole-4-carbohydrazide is Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-benzyl-5-chloro-N'-(4-fluorobenzoyl)-3-methylpyrazole-4-carbohydrazide?
The InChIKey is NBGQMXHXGZSNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c1-12-16(17(20)25(24-12)11-13-5-3-2-4-6-13)19(27)23-22-18(26)14-7-9-15(21)10-8-14/h2-10H,11H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 1-benzyl-5-chloro-N'-(4-fluorobenzoyl)-3-methylpyrazole-4-carbohydrazide?
1-benzyl-5-chloro-N'-(4-fluorobenzoyl)-3-methylpyrazole-4-carbohydrazide has a molecular weight of 386.81 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-N'-(4-fluorobenzoyl)-3-methylpyrazole-4-carbohydrazide is sourced from PubChem (CID 9037902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).