N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide

C24H26F3N5O3 — CID 39910208

IUPACN'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
SMILESCc1cccc(O[C@H](C)C(=O)NNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c1C
InChIInChI=1S/C24H26F3N5O3/c1-13(2)21-18(12-29-32(21)20-10-9-17(11-28-20)24(25,26)27)23(34)31-30-22(33)16(5)35-19-8-6-7-14(3)15(19)4/h6-13,16H,1-5H3,(H,30,33)(H,31,34)/t16-/m1/s1
InChIKeyXWOXCRWDGHMJKY-MRXNPFEDSA-N
MW489.50 g/mol
LogP4.25
Rot. Bonds6

About N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide

N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide (PubChem CID 39910208) has the molecular formula C24H26F3N5O3 and a molecular weight of 489.50 g/mol. Its IUPAC name is N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
PubChem CID39910208
Molecular FormulaC24H26F3N5O3
Molecular Weight489.50 g/mol
Exact Mass489.20
IUPAC NameN'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
SMILESCc1cccc(O[C@H](C)C(=O)NNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c1C
InChIInChI=1S/C24H26F3N5O3/c1-13(2)21-18(12-29-32(21)20-10-9-17(11-28-20)24(25,26)27)23(34)31-30-22(33)16(5)35-19-8-6-7-14(3)15(19)4/h6-13,16H,1-5H3,(H,30,33)(H,31,34)/t16-/m1/s1
InChIKeyXWOXCRWDGHMJKY-MRXNPFEDSA-N
XLogP4.25
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 54.25
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
5-propan-2-yl-N'-(4-propan-2-yloxybenzoyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
CID 39036337
1-(4-chlorophenyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 46537226
N-(3-acetamidophenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39038518
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-butan-2-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46605564
N-[2-(methylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride
CID 120831966
N-[2-(3-methylphenoxy)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46430009
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone
CID 55604027

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide?
The IUPAC name of N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide (CID 39910208) is N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide.
What is the SMILES notation for N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide?
The canonical SMILES for N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide is Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c1C.
What is the InChIKey of N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide?
The InChIKey is XWOXCRWDGHMJKY-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H26F3N5O3/c1-13(2)21-18(12-29-32(21)20-10-9-17(11-28-20)24(25,26)27)23(34)31-30-22(33)16(5)35-19-8-6-7-14(3)15(19)4/h6-13,16H,1-5H3,(H,30,33)(H,31,34)/t16-/m1/s1.
What are the key properties of N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide?
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide has a molecular weight of 489.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide is sourced from PubChem (CID 39910208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).