5-propan-2-yl-N'-(4-propan-2-yloxybenzoyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide

C23H24F3N5O3 — CID 39036337

IUPAC5-propan-2-yl-N'-(4-propan-2-yloxybenzoyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)cc1
InChIInChI=1S/C23H24F3N5O3/c1-13(2)20-18(12-28-31(20)19-10-7-16(11-27-19)23(24,25)26)22(33)30-29-21(32)15-5-8-17(9-6-15)34-14(3)4/h5-14H,1-4H3,(H,29,32)(H,30,33)
InChIKeyYXYGXGRRZNWQAT-UHFFFAOYSA-N
MW475.47 g/mol
LogP4.27
Rot. Bonds6

About 5-propan-2-yl-N'-(4-propan-2-yloxybenzoyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide

5-propan-2-yl-N'-(4-propan-2-yloxybenzoyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide (PubChem CID 39036337) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is 5-propan-2-yl-N'-(4-propan-2-yloxybenzoyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-propan-2-yl-N'-(4-propan-2-yloxybenzoyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
PubChem CID39036337
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC Name5-propan-2-yl-N'-(4-propan-2-yloxybenzoyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)cc1
InChIInChI=1S/C23H24F3N5O3/c1-13(2)20-18(12-28-31(20)19-10-7-16(11-27-19)23(24,25)26)22(33)30-29-21(32)15-5-8-17(9-6-15)34-14(3)4/h5-14H,1-4H3,(H,29,32)(H,30,33)
InChIKeyYXYGXGRRZNWQAT-UHFFFAOYSA-N
XLogP4.27
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 54.27
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

N'-(2-methylbenzoyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
CID 46480692
N'-[3-(dimethylamino)benzoyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
CID 39941438
N-(4-methylphenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46430085
N-(2-methylpropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39041621
(2R)-2-[[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 119369745
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
CID 39910208
N-butan-2-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46605564
N-(3-acetamidophenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39038518
N-(3-ethoxypropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39045341
N-butyl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46429671
5-propan-2-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39058873
N-[2-(methylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride
CID 120831966

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N'-(4-propan-2-yloxybenzoyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide?
The IUPAC name of 5-propan-2-yl-N'-(4-propan-2-yloxybenzoyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide (CID 39036337) is 5-propan-2-yl-N'-(4-propan-2-yloxybenzoyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide.
What is the SMILES notation for 5-propan-2-yl-N'-(4-propan-2-yloxybenzoyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide?
The canonical SMILES for 5-propan-2-yl-N'-(4-propan-2-yloxybenzoyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide is CC(C)Oc1ccc(C(=O)NNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)cc1.
What is the InChIKey of 5-propan-2-yl-N'-(4-propan-2-yloxybenzoyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide?
The InChIKey is YXYGXGRRZNWQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c1-13(2)20-18(12-28-31(20)19-10-7-16(11-27-19)23(24,25)26)22(33)30-29-21(32)15-5-8-17(9-6-15)34-14(3)4/h5-14H,1-4H3,(H,29,32)(H,30,33).
What are the key properties of 5-propan-2-yl-N'-(4-propan-2-yloxybenzoyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide?
5-propan-2-yl-N'-(4-propan-2-yloxybenzoyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide has a molecular weight of 475.47 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N'-(4-propan-2-yloxybenzoyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide is sourced from PubChem (CID 39036337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).