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

C19H23F6N5O — CID 19590921

IUPACN-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
SMILESCCC(C(=O)NCC(C)Cn1ccc(C(F)(F)F)n1)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C19H23F6N5O/c1-3-13(30-14-6-4-5-12(14)16(28-30)19(23,24)25)17(31)26-9-11(2)10-29-8-7-15(27-29)18(20,21)22/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,26,31)
InChIKeySWEFHRFCHPMYMG-UHFFFAOYSA-N
MW451.42 g/mol
LogP4.01
Rot. Bonds7

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

N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide (PubChem CID 19590921) has the molecular formula C19H23F6N5O and a molecular weight of 451.42 g/mol. Its IUPAC name is N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide.

Molecular Properties

Compound NameN-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
PubChem CID19590921
Molecular FormulaC19H23F6N5O
Molecular Weight451.42 g/mol
Exact Mass451.18
IUPAC NameN-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
SMILESCCC(C(=O)NCC(C)Cn1ccc(C(F)(F)F)n1)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C19H23F6N5O/c1-3-13(30-14-6-4-5-12(14)16(28-30)19(23,24)25)17(31)26-9-11(2)10-29-8-7-15(27-29)18(20,21)22/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,26,31)
InChIKeySWEFHRFCHPMYMG-UHFFFAOYSA-N
XLogP4.01
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The IUPAC name of N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide (CID 19590921) is N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide.
What is the SMILES notation for N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The canonical SMILES for N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide is CCC(C(=O)NCC(C)Cn1ccc(C(F)(F)F)n1)n1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The InChIKey is SWEFHRFCHPMYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F6N5O/c1-3-13(30-14-6-4-5-12(14)16(28-30)19(23,24)25)17(31)26-9-11(2)10-29-8-7-15(27-29)18(20,21)22/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,26,31).
What are the key properties of N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide has a molecular weight of 451.42 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide is sourced from PubChem (CID 19590921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).