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

C17H22F3N5O — CID 19590875

IUPACN-(1-ethyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
SMILESCCC(C(=O)Nc1cc(C)n(CC)n1)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C17H22F3N5O/c1-4-12(16(26)21-14-9-10(3)24(5-2)22-14)25-13-8-6-7-11(13)15(23-25)17(18,19)20/h9,12H,4-8H2,1-3H3,(H,21,22,26)
InChIKeyLAGGCADMSRTVPA-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.51
Rot. Bonds5

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

N-(1-ethyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide (PubChem CID 19590875) has the molecular formula C17H22F3N5O and a molecular weight of 369.39 g/mol. Its IUPAC name is N-(1-ethyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide.

Molecular Properties

Compound NameN-(1-ethyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
PubChem CID19590875
Molecular FormulaC17H22F3N5O
Molecular Weight369.39 g/mol
Exact Mass369.18
IUPAC NameN-(1-ethyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
SMILESCCC(C(=O)Nc1cc(C)n(CC)n1)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C17H22F3N5O/c1-4-12(16(26)21-14-9-10(3)24(5-2)22-14)25-13-8-6-7-11(13)15(23-25)17(18,19)20/h9,12H,4-8H2,1-3H3,(H,21,22,26)
InChIKeyLAGGCADMSRTVPA-UHFFFAOYSA-N
XLogP3.51
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The IUPAC name of N-(1-ethyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide (CID 19590875) is N-(1-ethyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide.
What is the SMILES notation for N-(1-ethyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The canonical SMILES for N-(1-ethyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide is CCC(C(=O)Nc1cc(C)n(CC)n1)n1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of N-(1-ethyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The InChIKey is LAGGCADMSRTVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5O/c1-4-12(16(26)21-14-9-10(3)24(5-2)22-14)25-13-8-6-7-11(13)15(23-25)17(18,19)20/h9,12H,4-8H2,1-3H3,(H,21,22,26).
What are the key properties of N-(1-ethyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
N-(1-ethyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide has a molecular weight of 369.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide is sourced from PubChem (CID 19590875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).