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

C21H20F3N5O2 — CID 46480692

IUPACN'-(2-methylbenzoyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C
InChIInChI=1S/C21H20F3N5O2/c1-12(2)18-16(20(31)28-27-19(30)15-7-5-4-6-13(15)3)11-26-29(18)17-9-8-14(10-25-17)21(22,23)24/h4-12H,1-3H3,(H,27,30)(H,28,31)
InChIKeyOQSRHNQYMJRKHZ-UHFFFAOYSA-N
MW431.42 g/mol
LogP3.79
Rot. Bonds4

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

N'-(2-methylbenzoyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide (PubChem CID 46480692) has the molecular formula C21H20F3N5O2 and a molecular weight of 431.42 g/mol. Its IUPAC name is N'-(2-methylbenzoyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methylbenzoyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
PubChem CID46480692
Molecular FormulaC21H20F3N5O2
Molecular Weight431.42 g/mol
Exact Mass431.16
IUPAC NameN'-(2-methylbenzoyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C
InChIInChI=1S/C21H20F3N5O2/c1-12(2)18-16(20(31)28-27-19(30)15-7-5-4-6-13(15)3)11-26-29(18)17-9-8-14(10-25-17)21(22,23)24/h4-12H,1-3H3,(H,27,30)(H,28,31)
InChIKeyOQSRHNQYMJRKHZ-UHFFFAOYSA-N
XLogP3.79
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
CID 39910208
N-(4-methylphenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46430085
5-propan-2-yl-N'-(4-propan-2-yloxybenzoyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
CID 39036337
N'-[3-(dimethylamino)benzoyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
CID 39941438
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-(3-aminobutyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 119497605
N-[2-(methylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride
CID 120831966
N-(3-acetamidophenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39038518
N-(3-methyl-2-phenylbutyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 71685182
N-[1-(2-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 55669268

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylbenzoyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide?
The IUPAC name of N'-(2-methylbenzoyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide (CID 46480692) is N'-(2-methylbenzoyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(2-methylbenzoyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide?
The canonical SMILES for N'-(2-methylbenzoyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide is Cc1ccccc1C(=O)NNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C.
What is the InChIKey of N'-(2-methylbenzoyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide?
The InChIKey is OQSRHNQYMJRKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O2/c1-12(2)18-16(20(31)28-27-19(30)15-7-5-4-6-13(15)3)11-26-29(18)17-9-8-14(10-25-17)21(22,23)24/h4-12H,1-3H3,(H,27,30)(H,28,31).
What are the key properties of N'-(2-methylbenzoyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide?
N'-(2-methylbenzoyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide has a molecular weight of 431.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylbenzoyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide is sourced from PubChem (CID 46480692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).