N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C12H16F3N3O — CID 47284227

IUPACN-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCn1cc(NC(=O)C2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C12H16F3N3O/c1-18-7-10(6-16-18)17-11(19)8-3-2-4-9(5-8)12(13,14)15/h6-9H,2-5H2,1H3,(H,17,19)
InChIKeyRCQKTDGBEHHHGW-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.73
Rot. Bonds2

About N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 47284227) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID47284227
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCn1cc(NC(=O)C2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C12H16F3N3O/c1-18-7-10(6-16-18)17-11(19)8-3-2-4-9(5-8)12(13,14)15/h6-9H,2-5H2,1H3,(H,17,19)
InChIKeyRCQKTDGBEHHHGW-UHFFFAOYSA-N
XLogP2.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 47284227) is N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is Cn1cc(NC(=O)C2CCCC(C(F)(F)F)C2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is RCQKTDGBEHHHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-18-7-10(6-16-18)17-11(19)8-3-2-4-9(5-8)12(13,14)15/h6-9H,2-5H2,1H3,(H,17,19).
What are the key properties of N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 47284227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).