3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide

C14H20F3N3O — CID 87023527

IUPAC3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide
SMILESCn1cc(CCC(=O)NC2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C14H20F3N3O/c1-20-9-10(8-18-20)5-6-13(21)19-12-4-2-3-11(7-12)14(15,16)17/h8-9,11-12H,2-7H2,1H3,(H,19,21)
InChIKeyJTOAUCZGJDDASU-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.59
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide

3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide (PubChem CID 87023527) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide
PubChem CID87023527
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide
SMILESCn1cc(CCC(=O)NC2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C14H20F3N3O/c1-20-9-10(8-18-20)5-6-13(21)19-12-4-2-3-11(7-12)14(15,16)17/h8-9,11-12H,2-7H2,1H3,(H,19,21)
InChIKeyJTOAUCZGJDDASU-UHFFFAOYSA-N
XLogP2.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide (CID 87023527) is 3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide is Cn1cc(CCC(=O)NC2CCCC(C(F)(F)F)C2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
The InChIKey is JTOAUCZGJDDASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-20-9-10(8-18-20)5-6-13(21)19-12-4-2-3-11(7-12)14(15,16)17/h8-9,11-12H,2-7H2,1H3,(H,19,21).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide has a molecular weight of 303.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide is sourced from PubChem (CID 87023527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).