N-[2-cyclohexyl-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide

C15H20F3N5O3 — CID 87264254

IUPACN-[2-cyclohexyl-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide
SMILESO=CN(O)CC(C(=O)NNc1nccc(C(F)(F)F)n1)C1CCCCC1
InChIInChI=1S/C15H20F3N5O3/c16-15(17,18)12-6-7-19-14(20-12)22-21-13(25)11(8-23(26)9-24)10-4-2-1-3-5-10/h6-7,9-11,26H,1-5,8H2,(H,21,25)(H,19,20,22)
InChIKeyBXDAOPJRGCOXJZ-UHFFFAOYSA-N
MW375.35 g/mol
LogP1.98
Rot. Bonds7

About N-[2-cyclohexyl-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide

N-[2-cyclohexyl-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide (PubChem CID 87264254) has the molecular formula C15H20F3N5O3 and a molecular weight of 375.35 g/mol. Its IUPAC name is N-[2-cyclohexyl-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[2-cyclohexyl-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide
PubChem CID87264254
Molecular FormulaC15H20F3N5O3
Molecular Weight375.35 g/mol
Exact Mass375.15
IUPAC NameN-[2-cyclohexyl-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide
SMILESO=CN(O)CC(C(=O)NNc1nccc(C(F)(F)F)n1)C1CCCCC1
InChIInChI=1S/C15H20F3N5O3/c16-15(17,18)12-6-7-19-14(20-12)22-21-13(25)11(8-23(26)9-24)10-4-2-1-3-5-10/h6-7,9-11,26H,1-5,8H2,(H,21,25)(H,19,20,22)
InChIKeyBXDAOPJRGCOXJZ-UHFFFAOYSA-N
XLogP1.98
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-(7-bicyclo[2.2.1]heptanylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide
CID 87264597
N-[1-cyclohexyl-2-oxo-2-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]ethyl]-N-phenylmethoxyformamide
CID 87739069
N-[5,5-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide
CID 87264638
N-hydroxy-N-[(2S)-3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide
CID 87264301
N-[2-cycloheptyl-3-[2-(7-methyl-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 87264085
N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide
CID 87264234
N-[1-cycloheptyl-2-oxo-2-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]ethyl]-N-hydroxyformamide;N-[[[1-[[formyl(hydroxy)amino]methyl]-4,4-dimethylcyclohexanecarbonyl]amino]methyl]-1-benzofuran-2-carboxamide
CID 87967596
1-cyclohexyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 115309503
N-[(2S)-2-(cyclopentylmethyl)-3-[2-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 87263995
N-[(2R)-2-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]-5-methylhexyl]-N-hydroxyformamide
CID 154018896
N-cyclohexyl-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 86207793
N-[(2R)-3-[2-(6-chloro-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 87264399

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide?
The IUPAC name of N-[2-cyclohexyl-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide (CID 87264254) is N-[2-cyclohexyl-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide.
What is the SMILES notation for N-[2-cyclohexyl-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide?
The canonical SMILES for N-[2-cyclohexyl-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide is O=CN(O)CC(C(=O)NNc1nccc(C(F)(F)F)n1)C1CCCCC1.
What is the InChIKey of N-[2-cyclohexyl-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide?
The InChIKey is BXDAOPJRGCOXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O3/c16-15(17,18)12-6-7-19-14(20-12)22-21-13(25)11(8-23(26)9-24)10-4-2-1-3-5-10/h6-7,9-11,26H,1-5,8H2,(H,21,25)(H,19,20,22).
What are the key properties of N-[2-cyclohexyl-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide?
N-[2-cyclohexyl-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide has a molecular weight of 375.35 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyl-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide is sourced from PubChem (CID 87264254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).