N-[(1R,2R)-2-fluorocyclohexyl]-2-pyrazol-1-ylacetamide

C11H16FN3O — CID 126790810

IUPACN-[(1R,2R)-2-fluorocyclohexyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)N[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C11H16FN3O/c12-9-4-1-2-5-10(9)14-11(16)8-15-7-3-6-13-15/h3,6-7,9-10H,1-2,4-5,8H2,(H,14,16)/t9-,10-/m1/s1
InChIKeyFRJJEHSECSLHGC-NXEZZACHSA-N
MW225.27 g/mol
LogP1.28
Rot. Bonds3

About N-[(1R,2R)-2-fluorocyclohexyl]-2-pyrazol-1-ylacetamide

N-[(1R,2R)-2-fluorocyclohexyl]-2-pyrazol-1-ylacetamide (PubChem CID 126790810) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is N-[(1R,2R)-2-fluorocyclohexyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-fluorocyclohexyl]-2-pyrazol-1-ylacetamide
PubChem CID126790810
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC NameN-[(1R,2R)-2-fluorocyclohexyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)N[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C11H16FN3O/c12-9-4-1-2-5-10(9)14-11(16)8-15-7-3-6-13-15/h3,6-7,9-10H,1-2,4-5,8H2,(H,14,16)/t9-,10-/m1/s1
InChIKeyFRJJEHSECSLHGC-NXEZZACHSA-N
XLogP1.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-fluorocyclohexyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[(1R,2R)-2-fluorocyclohexyl]-2-pyrazol-1-ylacetamide (CID 126790810) is N-[(1R,2R)-2-fluorocyclohexyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[(1R,2R)-2-fluorocyclohexyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[(1R,2R)-2-fluorocyclohexyl]-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)N[C@@H]1CCCC[C@H]1F.
What is the InChIKey of N-[(1R,2R)-2-fluorocyclohexyl]-2-pyrazol-1-ylacetamide?
The InChIKey is FRJJEHSECSLHGC-NXEZZACHSA-N. The full InChI is InChI=1S/C11H16FN3O/c12-9-4-1-2-5-10(9)14-11(16)8-15-7-3-6-13-15/h3,6-7,9-10H,1-2,4-5,8H2,(H,14,16)/t9-,10-/m1/s1.
What are the key properties of N-[(1R,2R)-2-fluorocyclohexyl]-2-pyrazol-1-ylacetamide?
N-[(1R,2R)-2-fluorocyclohexyl]-2-pyrazol-1-ylacetamide has a molecular weight of 225.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-fluorocyclohexyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 126790810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).