N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]cyclohexanecarboxamide

C13H18F3N3O2 — CID 19340856

IUPACN-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cnn(COCC(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C13H18F3N3O2/c14-13(15,16)8-21-9-19-7-11(6-17-19)18-12(20)10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,18,20)
InChIKeyMBFJCKFJRGNGSN-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.94
Rot. Bonds5

About N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]cyclohexanecarboxamide

N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]cyclohexanecarboxamide (PubChem CID 19340856) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]cyclohexanecarboxamide
PubChem CID19340856
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC NameN-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cnn(COCC(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C13H18F3N3O2/c14-13(15,16)8-21-9-19-7-11(6-17-19)18-12(20)10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,18,20)
InChIKeyMBFJCKFJRGNGSN-UHFFFAOYSA-N
XLogP2.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]cyclohexanecarboxamide (CID 19340856) is N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]cyclohexanecarboxamide is O=C(Nc1cnn(COCC(F)(F)F)c1)C1CCCCC1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]cyclohexanecarboxamide?
The InChIKey is MBFJCKFJRGNGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c14-13(15,16)8-21-9-19-7-11(6-17-19)18-12(20)10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,18,20).
What are the key properties of N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]cyclohexanecarboxamide?
N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]cyclohexanecarboxamide has a molecular weight of 305.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 19340856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).