N-(5-propan-2-yl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C14H20F3N3O — CID 47934174

IUPACN-(5-propan-2-yl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(C)c1cc(NC(=O)C2CCCC(C(F)(F)F)C2)n[nH]1
InChIInChI=1S/C14H20F3N3O/c1-8(2)11-7-12(20-19-11)18-13(21)9-4-3-5-10(6-9)14(15,16)17/h7-10H,3-6H2,1-2H3,(H2,18,19,20,21)
InChIKeySKDLENZNVAZBIY-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.84
Rot. Bonds3

About N-(5-propan-2-yl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(5-propan-2-yl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 47934174) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-(5-propan-2-yl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID47934174
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN-(5-propan-2-yl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(C)c1cc(NC(=O)C2CCCC(C(F)(F)F)C2)n[nH]1
InChIInChI=1S/C14H20F3N3O/c1-8(2)11-7-12(20-19-11)18-13(21)9-4-3-5-10(6-9)14(15,16)17/h7-10H,3-6H2,1-2H3,(H2,18,19,20,21)
InChIKeySKDLENZNVAZBIY-UHFFFAOYSA-N
XLogP3.84
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(5-propan-2-yl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 47934174) is N-(5-propan-2-yl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-propan-2-yl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(5-propan-2-yl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is CC(C)c1cc(NC(=O)C2CCCC(C(F)(F)F)C2)n[nH]1.
What is the InChIKey of N-(5-propan-2-yl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is SKDLENZNVAZBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-8(2)11-7-12(20-19-11)18-13(21)9-4-3-5-10(6-9)14(15,16)17/h7-10H,3-6H2,1-2H3,(H2,18,19,20,21).
What are the key properties of N-(5-propan-2-yl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(5-propan-2-yl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 303.33 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 47934174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).