pyrrolidin-1-yl-[1-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]cyclopropyl]methanone

C22H24F3N3O — CID 24827142

IUPACpyrrolidin-1-yl-[1-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]cyclopropyl]methanone
SMILESO=C(N1CCCC1)C1(c2ccc(-n3nc(C(F)(F)F)c4c3CCCC4)cc2)CC1
InChIInChI=1S/C22H24F3N3O/c23-22(24,25)19-17-5-1-2-6-18(17)28(26-19)16-9-7-15(8-10-16)21(11-12-21)20(29)27-13-3-4-14-27/h7-10H,1-6,11-14H2
InChIKeyRYUIVLRQMHWMSE-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.42
Rot. Bonds3

About pyrrolidin-1-yl-[1-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]cyclopropyl]methanone

pyrrolidin-1-yl-[1-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]cyclopropyl]methanone (PubChem CID 24827142) has the molecular formula C22H24F3N3O and a molecular weight of 403.45 g/mol. Its IUPAC name is pyrrolidin-1-yl-[1-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]cyclopropyl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[1-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]cyclopropyl]methanone
PubChem CID24827142
Molecular FormulaC22H24F3N3O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC Namepyrrolidin-1-yl-[1-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]cyclopropyl]methanone
SMILESO=C(N1CCCC1)C1(c2ccc(-n3nc(C(F)(F)F)c4c3CCCC4)cc2)CC1
InChIInChI=1S/C22H24F3N3O/c23-22(24,25)19-17-5-1-2-6-18(17)28(26-19)16-9-7-15(8-10-16)21(11-12-21)20(29)27-13-3-4-14-27/h7-10H,1-6,11-14H2
InChIKeyRYUIVLRQMHWMSE-UHFFFAOYSA-N
XLogP4.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzamide
CID 945544
1-[4-(1-Pyrrolidinylcarbonyl)phenyl]-3-(Trifluoromethyl)-4,5,6,7-Tetrahydro-1h-Indazole
CID 4862343
1-{4-[2-Oxo-2-(1-Pyrrolidinyl)ethyl]phenyl}-3-(Trifluoromethyl)-4,5,6,7-Tetrahydro-1h-Indazole
CID 24827045
1-({2-Fluoro-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1Hindazol-1-yl]phenyl}methyl)-2-pyrrolidinone
CID 25015611
1-({4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}methyl)-2-pyrrolidinone
CID 24825905
N-methyl-N-(2-phenylethyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzamide
CID 24826946
N,N-dimethyl-2-{4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}acetamide
CID 24827044
1-{4-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]phenyl}-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 24827139
1-({4-[6-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-1-yl]phenyl}methyl)-2-pyrrolidinone
CID 24951944
1-{3-Fluoro-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]phenyl}-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazole
CID 25015613
N-cyclopentyl-2-{4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}acetamide
CID 24825807
1-{4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}-2-propanone
CID 24827043

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[1-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]cyclopropyl]methanone?
The IUPAC name of pyrrolidin-1-yl-[1-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]cyclopropyl]methanone (CID 24827142) is pyrrolidin-1-yl-[1-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]cyclopropyl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[1-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]cyclopropyl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[1-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]cyclopropyl]methanone is O=C(N1CCCC1)C1(c2ccc(-n3nc(C(F)(F)F)c4c3CCCC4)cc2)CC1.
What is the InChIKey of pyrrolidin-1-yl-[1-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]cyclopropyl]methanone?
The InChIKey is RYUIVLRQMHWMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O/c23-22(24,25)19-17-5-1-2-6-18(17)28(26-19)16-9-7-15(8-10-16)21(11-12-21)20(29)27-13-3-4-14-27/h7-10H,1-6,11-14H2.
What are the key properties of pyrrolidin-1-yl-[1-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]cyclopropyl]methanone?
pyrrolidin-1-yl-[1-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]cyclopropyl]methanone has a molecular weight of 403.45 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[1-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]cyclopropyl]methanone is sourced from PubChem (CID 24827142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).