2-cyclohexyloxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide

C13H18F3N3O2 — CID 138049440

IUPAC2-cyclohexyloxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide
SMILESCn1nc(NC(=O)COC2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C13H18F3N3O2/c1-19-10(13(14,15)16)7-11(18-19)17-12(20)8-21-9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3,(H,17,18,20)
InChIKeyCYUNTBACQFLCPR-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.73
Rot. Bonds4

About 2-cyclohexyloxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide

2-cyclohexyloxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide (PubChem CID 138049440) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyloxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide
PubChem CID138049440
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name2-cyclohexyloxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide
SMILESCn1nc(NC(=O)COC2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C13H18F3N3O2/c1-19-10(13(14,15)16)7-11(18-19)17-12(20)8-21-9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3,(H,17,18,20)
InChIKeyCYUNTBACQFLCPR-UHFFFAOYSA-N
XLogP2.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-cyclohexyloxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide (CID 138049440) is 2-cyclohexyloxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-cyclohexyloxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-cyclohexyloxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide is Cn1nc(NC(=O)COC2CCCCC2)cc1C(F)(F)F.
What is the InChIKey of 2-cyclohexyloxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide?
The InChIKey is CYUNTBACQFLCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-19-10(13(14,15)16)7-11(18-19)17-12(20)8-21-9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3,(H,17,18,20).
What are the key properties of 2-cyclohexyloxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide?
2-cyclohexyloxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide has a molecular weight of 305.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 138049440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).