N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C13H19F3N4O — CID 104621929

IUPACN-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1nn(C)c(NC(=O)C2CCCCC2C(F)(F)F)c1N
InChIInChI=1S/C13H19F3N4O/c1-7-10(17)11(20(2)19-7)18-12(21)8-5-3-4-6-9(8)13(14,15)16/h8-9H,3-6,17H2,1-2H3,(H,18,21)
InChIKeySCAIBYAYQKDHHF-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.62
Rot. Bonds2

About N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 104621929) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID104621929
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1nn(C)c(NC(=O)C2CCCCC2C(F)(F)F)c1N
InChIInChI=1S/C13H19F3N4O/c1-7-10(17)11(20(2)19-7)18-12(21)8-5-3-4-6-9(8)13(14,15)16/h8-9H,3-6,17H2,1-2H3,(H,18,21)
InChIKeySCAIBYAYQKDHHF-UHFFFAOYSA-N
XLogP2.62
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 104621929) is N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is Cc1nn(C)c(NC(=O)C2CCCCC2C(F)(F)F)c1N.
What is the InChIKey of N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is SCAIBYAYQKDHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-7-10(17)11(20(2)19-7)18-12(21)8-5-3-4-6-9(8)13(14,15)16/h8-9H,3-6,17H2,1-2H3,(H,18,21).
What are the key properties of N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 104621929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).