N-[5-[(1R,2R)-2-aminocyclohexyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide

C11H15F3N4O — CID 142540718

IUPACN-[5-[(1R,2R)-2-aminocyclohexyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide
SMILESN[C@@H]1CCCC[C@H]1c1cc(NC(=O)C(F)(F)F)n[nH]1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)10(19)16-9-5-8(17-18-9)6-3-1-2-4-7(6)15/h5-7H,1-4,15H2,(H2,16,17,18,19)/t6-,7-/m1/s1
InChIKeyJOYFDVCFJDEPJZ-RNFRBKRXSA-N
MW276.26 g/mol
LogP1.90
Rot. Bonds2

About N-[5-[(1R,2R)-2-aminocyclohexyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide

N-[5-[(1R,2R)-2-aminocyclohexyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 142540718) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is N-[5-[(1R,2R)-2-aminocyclohexyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[5-[(1R,2R)-2-aminocyclohexyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide
PubChem CID142540718
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC NameN-[5-[(1R,2R)-2-aminocyclohexyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide
SMILESN[C@@H]1CCCC[C@H]1c1cc(NC(=O)C(F)(F)F)n[nH]1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)10(19)16-9-5-8(17-18-9)6-3-1-2-4-7(6)15/h5-7H,1-4,15H2,(H2,16,17,18,19)/t6-,7-/m1/s1
InChIKeyJOYFDVCFJDEPJZ-RNFRBKRXSA-N
XLogP1.90
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(1R,2R)-2-aminocyclohexyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[5-[(1R,2R)-2-aminocyclohexyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide (CID 142540718) is N-[5-[(1R,2R)-2-aminocyclohexyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[5-[(1R,2R)-2-aminocyclohexyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[5-[(1R,2R)-2-aminocyclohexyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide is N[C@@H]1CCCC[C@H]1c1cc(NC(=O)C(F)(F)F)n[nH]1.
What is the InChIKey of N-[5-[(1R,2R)-2-aminocyclohexyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is JOYFDVCFJDEPJZ-RNFRBKRXSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)10(19)16-9-5-8(17-18-9)6-3-1-2-4-7(6)15/h5-7H,1-4,15H2,(H2,16,17,18,19)/t6-,7-/m1/s1.
What are the key properties of N-[5-[(1R,2R)-2-aminocyclohexyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide?
N-[5-[(1R,2R)-2-aminocyclohexyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 276.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1R,2R)-2-aminocyclohexyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 142540718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).