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

C12H16F3N3O — CID 47289838

IUPACN-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCCC(C(F)(F)F)C2)n[nH]1
InChIInChI=1S/C12H16F3N3O/c1-7-5-10(18-17-7)16-11(19)8-3-2-4-9(6-8)12(13,14)15/h5,8-9H,2-4,6H2,1H3,(H2,16,17,18,19)
InChIKeyAJORRHBSOZZECN-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.03
Rot. Bonds2

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

N-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 47289838) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID47289838
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCCC(C(F)(F)F)C2)n[nH]1
InChIInChI=1S/C12H16F3N3O/c1-7-5-10(18-17-7)16-11(19)8-3-2-4-9(6-8)12(13,14)15/h5,8-9H,2-4,6H2,1H3,(H2,16,17,18,19)
InChIKeyAJORRHBSOZZECN-UHFFFAOYSA-N
XLogP3.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 47289838) is N-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is Cc1cc(NC(=O)C2CCCC(C(F)(F)F)C2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is AJORRHBSOZZECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-7-5-10(18-17-7)16-11(19)8-3-2-4-9(6-8)12(13,14)15/h5,8-9H,2-4,6H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 47289838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).