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

C18H23ClF3N5O — CID 29092578

IUPAC(2R)-N-[(2S)-3-(4-chloropyrazol-1-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
SMILESCC[C@H](C(=O)NC[C@H](C)Cn1cc(Cl)cn1)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C18H23ClF3N5O/c1-3-14(17(28)23-7-11(2)9-26-10-12(19)8-24-26)27-15-6-4-5-13(15)16(25-27)18(20,21)22/h8,10-11,14H,3-7,9H2,1-2H3,(H,23,28)/t11-,14+/m0/s1
InChIKeyXYQCLPFYJUPKFX-SMDDNHRTSA-N
MW417.86 g/mol
LogP3.64
Rot. Bonds7

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

(2R)-N-[(2S)-3-(4-chloropyrazol-1-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide (PubChem CID 29092578) has the molecular formula C18H23ClF3N5O and a molecular weight of 417.86 g/mol. Its IUPAC name is (2R)-N-[(2S)-3-(4-chloropyrazol-1-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-3-(4-chloropyrazol-1-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
PubChem CID29092578
Molecular FormulaC18H23ClF3N5O
Molecular Weight417.86 g/mol
Exact Mass417.15
IUPAC Name(2R)-N-[(2S)-3-(4-chloropyrazol-1-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
SMILESCC[C@H](C(=O)NC[C@H](C)Cn1cc(Cl)cn1)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C18H23ClF3N5O/c1-3-14(17(28)23-7-11(2)9-26-10-12(19)8-24-26)27-15-6-4-5-13(15)16(25-27)18(20,21)22/h8,10-11,14H,3-7,9H2,1-2H3,(H,23,28)/t11-,14+/m0/s1
InChIKeyXYQCLPFYJUPKFX-SMDDNHRTSA-N
XLogP3.64
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(2S)-3-(4-chloropyrazol-1-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-3-(4-chloropyrazol-1-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The IUPAC name of (2R)-N-[(2S)-3-(4-chloropyrazol-1-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide (CID 29092578) is (2R)-N-[(2S)-3-(4-chloropyrazol-1-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide.
What is the SMILES notation for (2R)-N-[(2S)-3-(4-chloropyrazol-1-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The canonical SMILES for (2R)-N-[(2S)-3-(4-chloropyrazol-1-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide is CC[C@H](C(=O)NC[C@H](C)Cn1cc(Cl)cn1)n1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of (2R)-N-[(2S)-3-(4-chloropyrazol-1-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The InChIKey is XYQCLPFYJUPKFX-SMDDNHRTSA-N. The full InChI is InChI=1S/C18H23ClF3N5O/c1-3-14(17(28)23-7-11(2)9-26-10-12(19)8-24-26)27-15-6-4-5-13(15)16(25-27)18(20,21)22/h8,10-11,14H,3-7,9H2,1-2H3,(H,23,28)/t11-,14+/m0/s1.
What are the key properties of (2R)-N-[(2S)-3-(4-chloropyrazol-1-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
(2R)-N-[(2S)-3-(4-chloropyrazol-1-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide has a molecular weight of 417.86 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-3-(4-chloropyrazol-1-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide is sourced from PubChem (CID 29092578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).