N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

C13H19F3N4O — CID 104622502

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCn1ncc(CNC(=O)C2CCCCC2C(F)(F)F)c1N
InChIInChI=1S/C13H19F3N4O/c1-20-11(17)8(7-19-20)6-18-12(21)9-4-2-3-5-10(9)13(14,15)16/h7,9-10H,2-6,17H2,1H3,(H,18,21)
InChIKeyNZOUMTASJUULHQ-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.99
Rot. Bonds3

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 104622502) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID104622502
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCn1ncc(CNC(=O)C2CCCCC2C(F)(F)F)c1N
InChIInChI=1S/C13H19F3N4O/c1-20-11(17)8(7-19-20)6-18-12(21)9-4-2-3-5-10(9)13(14,15)16/h7,9-10H,2-6,17H2,1H3,(H,18,21)
InChIKeyNZOUMTASJUULHQ-UHFFFAOYSA-N
XLogP1.99
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 104622502) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is Cn1ncc(CNC(=O)C2CCCCC2C(F)(F)F)c1N.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is NZOUMTASJUULHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-20-11(17)8(7-19-20)6-18-12(21)9-4-2-3-5-10(9)13(14,15)16/h7,9-10H,2-6,17H2,1H3,(H,18,21).
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 104622502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).