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

C19H26F3N5O — CID 29092547

IUPAC(2S)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
SMILESCC[C@@H](C(=O)N[C@@H](C)Cn1nc(C)cc1C)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C19H26F3N5O/c1-5-15(18(28)23-12(3)10-26-13(4)9-11(2)24-26)27-16-8-6-7-14(16)17(25-27)19(20,21)22/h9,12,15H,5-8,10H2,1-4H3,(H,23,28)/t12-,15-/m0/s1
InChIKeyDUCMJEYRTIGURO-WFASDCNBSA-N
MW397.45 g/mol
LogP3.36
Rot. Bonds6

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

(2S)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide (PubChem CID 29092547) has the molecular formula C19H26F3N5O and a molecular weight of 397.45 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
PubChem CID29092547
Molecular FormulaC19H26F3N5O
Molecular Weight397.45 g/mol
Exact Mass397.21
IUPAC Name(2S)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
SMILESCC[C@@H](C(=O)N[C@@H](C)Cn1nc(C)cc1C)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C19H26F3N5O/c1-5-15(18(28)23-12(3)10-26-13(4)9-11(2)24-26)27-16-8-6-7-14(16)17(25-27)19(20,21)22/h9,12,15H,5-8,10H2,1-4H3,(H,23,28)/t12-,15-/m0/s1
InChIKeyDUCMJEYRTIGURO-WFASDCNBSA-N
XLogP3.36
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-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 (2S)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The IUPAC name of (2S)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide (CID 29092547) is (2S)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide.
What is the SMILES notation for (2S)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The canonical SMILES for (2S)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide is CC[C@@H](C(=O)N[C@@H](C)Cn1nc(C)cc1C)n1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of (2S)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The InChIKey is DUCMJEYRTIGURO-WFASDCNBSA-N. The full InChI is InChI=1S/C19H26F3N5O/c1-5-15(18(28)23-12(3)10-26-13(4)9-11(2)24-26)27-16-8-6-7-14(16)17(25-27)19(20,21)22/h9,12,15H,5-8,10H2,1-4H3,(H,23,28)/t12-,15-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
(2S)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide has a molecular weight of 397.45 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide is sourced from PubChem (CID 29092547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).