N-(4,4-difluorocyclohexyl)-2-(4-hydrazinyl-3-methylpyrazol-1-yl)acetamide

C12H19F2N5O — CID 170264880

IUPACN-(4,4-difluorocyclohexyl)-2-(4-hydrazinyl-3-methylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCC(F)(F)CC2)cc1NN
InChIInChI=1S/C12H19F2N5O/c1-8-10(17-15)6-19(18-8)7-11(20)16-9-2-4-12(13,14)5-3-9/h6,9,17H,2-5,7,15H2,1H3,(H,16,20)
InChIKeyIHVWKKALEVHCBN-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.17
Rot. Bonds4

About N-(4,4-difluorocyclohexyl)-2-(4-hydrazinyl-3-methylpyrazol-1-yl)acetamide

N-(4,4-difluorocyclohexyl)-2-(4-hydrazinyl-3-methylpyrazol-1-yl)acetamide (PubChem CID 170264880) has the molecular formula C12H19F2N5O and a molecular weight of 287.31 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-2-(4-hydrazinyl-3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-2-(4-hydrazinyl-3-methylpyrazol-1-yl)acetamide
PubChem CID170264880
Molecular FormulaC12H19F2N5O
Molecular Weight287.31 g/mol
Exact Mass287.16
IUPAC NameN-(4,4-difluorocyclohexyl)-2-(4-hydrazinyl-3-methylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCC(F)(F)CC2)cc1NN
InChIInChI=1S/C12H19F2N5O/c1-8-10(17-15)6-19(18-8)7-11(20)16-9-2-4-12(13,14)5-3-9/h6,9,17H,2-5,7,15H2,1H3,(H,16,20)
InChIKeyIHVWKKALEVHCBN-UHFFFAOYSA-N
XLogP1.17
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-2-(4-hydrazinyl-3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-2-(4-hydrazinyl-3-methylpyrazol-1-yl)acetamide (CID 170264880) is N-(4,4-difluorocyclohexyl)-2-(4-hydrazinyl-3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-2-(4-hydrazinyl-3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-2-(4-hydrazinyl-3-methylpyrazol-1-yl)acetamide is Cc1nn(CC(=O)NC2CCC(F)(F)CC2)cc1NN.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-2-(4-hydrazinyl-3-methylpyrazol-1-yl)acetamide?
The InChIKey is IHVWKKALEVHCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N5O/c1-8-10(17-15)6-19(18-8)7-11(20)16-9-2-4-12(13,14)5-3-9/h6,9,17H,2-5,7,15H2,1H3,(H,16,20).
What are the key properties of N-(4,4-difluorocyclohexyl)-2-(4-hydrazinyl-3-methylpyrazol-1-yl)acetamide?
N-(4,4-difluorocyclohexyl)-2-(4-hydrazinyl-3-methylpyrazol-1-yl)acetamide has a molecular weight of 287.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-2-(4-hydrazinyl-3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 170264880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).