N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide

C18H24F3N5O2 — CID 19591031

IUPACN-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
SMILESCCC(C(=O)Nc1c(C)nn(COC)c1C)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C18H24F3N5O2/c1-5-13(17(27)22-15-10(2)23-25(9-28-4)11(15)3)26-14-8-6-7-12(14)16(24-26)18(19,20)21/h13H,5-9H2,1-4H3,(H,22,27)
InChIKeyLZUHBLAHNSKTFM-UHFFFAOYSA-N
MW399.42 g/mol
LogP3.40
Rot. Bonds6

About N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide

N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide (PubChem CID 19591031) has the molecular formula C18H24F3N5O2 and a molecular weight of 399.42 g/mol. Its IUPAC name is N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide.

Molecular Properties

Compound NameN-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
PubChem CID19591031
Molecular FormulaC18H24F3N5O2
Molecular Weight399.42 g/mol
Exact Mass399.19
IUPAC NameN-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
SMILESCCC(C(=O)Nc1c(C)nn(COC)c1C)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C18H24F3N5O2/c1-5-13(17(27)22-15-10(2)23-25(9-28-4)11(15)3)26-14-8-6-7-12(14)16(24-26)18(19,20)21/h13H,5-9H2,1-4H3,(H,22,27)
InChIKeyLZUHBLAHNSKTFM-UHFFFAOYSA-N
XLogP3.40
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The IUPAC name of N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide (CID 19591031) is N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide.
What is the SMILES notation for N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The canonical SMILES for N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide is CCC(C(=O)Nc1c(C)nn(COC)c1C)n1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The InChIKey is LZUHBLAHNSKTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N5O2/c1-5-13(17(27)22-15-10(2)23-25(9-28-4)11(15)3)26-14-8-6-7-12(14)16(24-26)18(19,20)21/h13H,5-9H2,1-4H3,(H,22,27).
What are the key properties of N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide has a molecular weight of 399.42 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide is sourced from PubChem (CID 19591031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).