1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,5-dimethylpyrazole-4-carbohydrazide

C23H25FN4O4 — CID 46656733

IUPAC1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,5-dimethylpyrazole-4-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)ccc1OC(C)C
InChIInChI=1S/C23H25FN4O4/c1-13(2)32-19-11-6-16(12-20(19)31-5)22(29)25-26-23(30)21-14(3)27-28(15(21)4)18-9-7-17(24)8-10-18/h6-13H,1-5H3,(H,25,29)(H,26,30)
InChIKeyQOSLGWNZXDFVJH-UHFFFAOYSA-N
MW440.48 g/mol
LogP3.50
Rot. Bonds6

About 1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,5-dimethylpyrazole-4-carbohydrazide

1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,5-dimethylpyrazole-4-carbohydrazide (PubChem CID 46656733) has the molecular formula C23H25FN4O4 and a molecular weight of 440.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,5-dimethylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,5-dimethylpyrazole-4-carbohydrazide
PubChem CID46656733
Molecular FormulaC23H25FN4O4
Molecular Weight440.48 g/mol
Exact Mass440.19
IUPAC Name1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,5-dimethylpyrazole-4-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)ccc1OC(C)C
InChIInChI=1S/C23H25FN4O4/c1-13(2)32-19-11-6-16(12-20(19)31-5)22(29)25-26-23(30)21-14(3)27-28(15(21)4)18-9-7-17(24)8-10-18/h6-13H,1-5H3,(H,25,29)(H,26,30)
InChIKeyQOSLGWNZXDFVJH-UHFFFAOYSA-N
XLogP3.50
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46690630
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 26245553
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
1-(4-fluorophenyl)-N-[(2R)-1-methoxypropan-2-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 29354852
3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 26655769
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 8621899
methyl 5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 31724561
N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide
CID 26246659
N'-[4-(difluoromethoxy)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655758
2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 7972045
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 46407895
N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-methylpyrazine-2-carbohydrazide
CID 18266699

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,5-dimethylpyrazole-4-carbohydrazide?
The IUPAC name of 1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,5-dimethylpyrazole-4-carbohydrazide (CID 46656733) is 1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,5-dimethylpyrazole-4-carbohydrazide.
What is the SMILES notation for 1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,5-dimethylpyrazole-4-carbohydrazide?
The canonical SMILES for 1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,5-dimethylpyrazole-4-carbohydrazide is COc1cc(C(=O)NNC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)ccc1OC(C)C.
What is the InChIKey of 1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,5-dimethylpyrazole-4-carbohydrazide?
The InChIKey is QOSLGWNZXDFVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4/c1-13(2)32-19-11-6-16(12-20(19)31-5)22(29)25-26-23(30)21-14(3)27-28(15(21)4)18-9-7-17(24)8-10-18/h6-13H,1-5H3,(H,25,29)(H,26,30).
What are the key properties of 1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,5-dimethylpyrazole-4-carbohydrazide?
1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,5-dimethylpyrazole-4-carbohydrazide has a molecular weight of 440.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,5-dimethylpyrazole-4-carbohydrazide is sourced from PubChem (CID 46656733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).