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

C15H18F3N5O — CID 9465345

IUPACN-(2-cyclohexylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C15H18F3N5O/c16-15(17,18)12-7-9-22(21-12)10-14(24)20-13-6-8-19-23(13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,20,24)
InChIKeyQYBBNUVAYRAEPT-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.24
Rot. Bonds4

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

N-(2-cyclohexylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 9465345) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is N-(2-cyclohexylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyclohexylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID9465345
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC NameN-(2-cyclohexylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C15H18F3N5O/c16-15(17,18)12-7-9-22(21-12)10-14(24)20-13-6-8-19-23(13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,20,24)
InChIKeyQYBBNUVAYRAEPT-UHFFFAOYSA-N
XLogP3.24
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 9465345) is N-(2-cyclohexylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-cyclohexylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-cyclohexylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccnn1C1CCCCC1.
What is the InChIKey of N-(2-cyclohexylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is QYBBNUVAYRAEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c16-15(17,18)12-7-9-22(21-12)10-14(24)20-13-6-8-19-23(13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,20,24).
What are the key properties of N-(2-cyclohexylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2-cyclohexylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 341.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 9465345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).