N-methyl-2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]acetamide

C13H19F3N4O — CID 64756991

IUPACN-methyl-2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(NC2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C13H19F3N4O/c1-17-12(21)8-20-7-11(6-18-20)19-10-4-2-3-9(5-10)13(14,15)16/h6-7,9-10,19H,2-5,8H2,1H3,(H,17,21)
InChIKeyHBHHRGQMSMZZQH-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.16
Rot. Bonds4

About N-methyl-2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]acetamide

N-methyl-2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]acetamide (PubChem CID 64756991) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-methyl-2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]acetamide
PubChem CID64756991
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-methyl-2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(NC2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C13H19F3N4O/c1-17-12(21)8-20-7-11(6-18-20)19-10-4-2-3-9(5-10)13(14,15)16/h6-7,9-10,19H,2-5,8H2,1H3,(H,17,21)
InChIKeyHBHHRGQMSMZZQH-UHFFFAOYSA-N
XLogP2.16
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]acetamide (CID 64756991) is N-methyl-2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]acetamide is CNC(=O)Cn1cc(NC2CCCC(C(F)(F)F)C2)cn1.
What is the InChIKey of N-methyl-2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]acetamide?
The InChIKey is HBHHRGQMSMZZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-17-12(21)8-20-7-11(6-18-20)19-10-4-2-3-9(5-10)13(14,15)16/h6-7,9-10,19H,2-5,8H2,1H3,(H,17,21).
What are the key properties of N-methyl-2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]acetamide?
N-methyl-2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]acetamide has a molecular weight of 304.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 64756991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).