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

CID 10428777
CID 10428777
CID 9982382
CID 9982382
CID 9998671
CID 9998671
CID 10003742
CID 10003742
CID 10023221
CID 10023221
CID 10045116
CID 10045116
CID 10071685
CID 10071685
CID 10090089
CID 10090089
CID 10249653
CID 10249653
CID 10316627
CID 10316627
CID 10361207
CID 10361207
CID 10365609
CID 10365609

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).