1-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one

C20H20F3N3O2 — CID 25014502

IUPAC1-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@H]1Cc2ccc(-n3nc(C(F)(F)F)c4c3COCC4)cc2C1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)19-16-5-7-28-11-17(16)26(24-19)14-4-3-12-8-15(10-13(12)9-14)25-6-1-2-18(25)27/h3-4,9,15H,1-2,5-8,10-11H2/t15-/m0/s1
InChIKeyJPJRFTHZCJFVJX-HNNXBMFYSA-N
MW391.39 g/mol
LogP3.05
Rot. Bonds2

About 1-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one

1-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one (PubChem CID 25014502) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 1-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one
PubChem CID25014502
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name1-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@H]1Cc2ccc(-n3nc(C(F)(F)F)c4c3COCC4)cc2C1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)19-16-5-7-28-11-17(16)26(24-19)14-4-3-12-8-15(10-13(12)9-14)25-6-1-2-18(25)27/h3-4,9,15H,1-2,5-8,10-11H2/t15-/m0/s1
InChIKeyJPJRFTHZCJFVJX-HNNXBMFYSA-N
XLogP3.05
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-({4-[3-(Trifluoromethyl)-6,7-Dihydropyrano[4,3-C]pyrazol-1(4h)-Yl]phenyl}methyl)-2-Pyrrolidinone
CID 24951587
1-[4-(1-Pyrrolidinylcarbonyl)phenyl]-3-(trifluoromethyl)-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole
CID 24951942
1-({4-[3-(trifluoromethyl)-4,7-dihydropyrano[3,4-c]pyrazol-1(5H)-yl]phenyl}methyl)-2-pyrrolidinone
CID 24951943
1-({2,6-difluoro-4-[3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]phenyl}methyl)-2-pyrrolidinone
CID 24951946
1-({2-fluoro-4-[3-(trifluoromethyl)-4,7-dihydropyrano[3,4-c]pyrazol-1(5H)-yl]phenyl}methyl)-2-pyrrolidinone
CID 24951947
1-[3-Fluoro-4-(1-pyrrolidinylcarbonyl)phenyl]-3-(trifluoromethyl)-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole
CID 24952306
1-[4-(1-Acetyl-2-pyrrolidinyl)phenyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 24952308
1-({3-fluoro-4-[3-(trifluoromethyl)-4,7-dihydropyrano[3,4-c]pyrazol-1(5H)-yl]phenyl}methyl)-2-pyrrolidinone
CID 24953016
1-({3-fluoro-4-[3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]phenyl}methyl)-2-pyrrolidinone
CID 24953017
1-({2-fluoro-4-[3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]phenyl}methyl)-2-pyrrolidinone
CID 24953020
1-{3-Fluoro-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]phenyl}-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 24953375
1-{3-Fluoro-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]phenyl}-3-(trifluoromethyl)-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole
CID 24953378

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one (CID 25014502) is 1-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one is O=C1CCCN1[C@H]1Cc2ccc(-n3nc(C(F)(F)F)c4c3COCC4)cc2C1.
What is the InChIKey of 1-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one?
The InChIKey is JPJRFTHZCJFVJX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c21-20(22,23)19-16-5-7-28-11-17(16)26(24-19)14-4-3-12-8-15(10-13(12)9-14)25-6-1-2-18(25)27/h3-4,9,15H,1-2,5-8,10-11H2/t15-/m0/s1.
What are the key properties of 1-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one?
1-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one has a molecular weight of 391.39 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 25014502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).