N-[(2-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C13H18F3N3O2 — CID 64912793

IUPACN-[(2-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCC1CCCCC1O
InChIInChI=1S/C13H18F3N3O2/c14-13(15,16)11-5-6-19(18-11)8-12(21)17-7-9-3-1-2-4-10(9)20/h5-6,9-10,20H,1-4,7-8H2,(H,17,21)
InChIKeyZOPGOLSQCILRJX-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.57
Rot. Bonds4

About N-[(2-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[(2-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 64912793) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID64912793
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCC1CCCCC1O
InChIInChI=1S/C13H18F3N3O2/c14-13(15,16)11-5-6-19(18-11)8-12(21)17-7-9-3-1-2-4-10(9)20/h5-6,9-10,20H,1-4,7-8H2,(H,17,21)
InChIKeyZOPGOLSQCILRJX-UHFFFAOYSA-N
XLogP1.57
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 64912793) is N-[(2-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)NCC1CCCCC1O.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is ZOPGOLSQCILRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c14-13(15,16)11-5-6-19(18-11)8-12(21)17-7-9-3-1-2-4-10(9)20/h5-6,9-10,20H,1-4,7-8H2,(H,17,21).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[(2-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 305.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 64912793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).