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

C15H18F3N5O — CID 29092497

IUPAC(2S)-N-(2-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
SMILESCC[C@@H](C(=O)Nc1ccnn1C)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C15H18F3N5O/c1-3-10(14(24)20-12-7-8-19-22(12)2)23-11-6-4-5-9(11)13(21-23)15(16,17)18/h7-8,10H,3-6H2,1-2H3,(H,20,24)/t10-/m0/s1
InChIKeyUYHMJRQUHOFACD-JTQLQIEISA-N
MW341.34 g/mol
LogP2.71
Rot. Bonds4

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

(2S)-N-(2-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide (PubChem CID 29092497) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is (2S)-N-(2-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide.

Molecular Properties

Compound Name(2S)-N-(2-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
PubChem CID29092497
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name(2S)-N-(2-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
SMILESCC[C@@H](C(=O)Nc1ccnn1C)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C15H18F3N5O/c1-3-10(14(24)20-12-7-8-19-22(12)2)23-11-6-4-5-9(11)13(21-23)15(16,17)18/h7-8,10H,3-6H2,1-2H3,(H,20,24)/t10-/m0/s1
InChIKeyUYHMJRQUHOFACD-JTQLQIEISA-N
XLogP2.71
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The IUPAC name of (2S)-N-(2-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide (CID 29092497) is (2S)-N-(2-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide.
What is the SMILES notation for (2S)-N-(2-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The canonical SMILES for (2S)-N-(2-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide is CC[C@@H](C(=O)Nc1ccnn1C)n1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of (2S)-N-(2-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The InChIKey is UYHMJRQUHOFACD-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-3-10(14(24)20-12-7-8-19-22(12)2)23-11-6-4-5-9(11)13(21-23)15(16,17)18/h7-8,10H,3-6H2,1-2H3,(H,20,24)/t10-/m0/s1.
What are the key properties of (2S)-N-(2-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
(2S)-N-(2-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide has a molecular weight of 341.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide is sourced from PubChem (CID 29092497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).