N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

C14H20F3N3O — CID 75416589

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCn1cc(CCNC(=O)C2CCCCC2C(F)(F)F)cn1
InChIInChI=1S/C14H20F3N3O/c1-20-9-10(8-19-20)6-7-18-13(21)11-4-2-3-5-12(11)14(15,16)17/h8-9,11-12H,2-7H2,1H3,(H,18,21)
InChIKeyMGNUYYOPGCVJQO-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.45
Rot. Bonds4

About N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 75416589) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID75416589
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCn1cc(CCNC(=O)C2CCCCC2C(F)(F)F)cn1
InChIInChI=1S/C14H20F3N3O/c1-20-9-10(8-19-20)6-7-18-13(21)11-4-2-3-5-12(11)14(15,16)17/h8-9,11-12H,2-7H2,1H3,(H,18,21)
InChIKeyMGNUYYOPGCVJQO-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 75416589) is N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is Cn1cc(CCNC(=O)C2CCCCC2C(F)(F)F)cn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is MGNUYYOPGCVJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-20-9-10(8-19-20)6-7-18-13(21)11-4-2-3-5-12(11)14(15,16)17/h8-9,11-12H,2-7H2,1H3,(H,18,21).
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 303.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 75416589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).