N-[1-[5-[1-[2-ethyl-2-[[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]propan-2-yl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-2-(trifluoromethoxy)benzamide

C36H45F3N8O5 — CID 162572336

IUPACN-[1-[5-[1-[2-ethyl-2-[[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]propan-2-yl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-2-(trifluoromethoxy)benzamide
SMILESCCC1(C(=O)NC2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)CC1CC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccccc3OC(F)(F)F)C2)n[nH]1
InChIInChI=1S/C36H45F3N8O5/c1-5-35(34(51)41-24-11-13-47(19-24)32(49)28-15-26(20(2)3)42-44-28)17-22(35)14-21(4)27-16-29(45-43-27)33(50)46-12-10-23(18-46)40-31(48)25-8-6-7-9-30(25)52-36(37,38)39/h6-9,15-16,20-24H,5,10-14,17-19H2,1-4H3,(H,40,48)(H,41,51)(H,42,44)(H,43,45)
InChIKeyCYOQEUZLPWPXDC-UHFFFAOYSA-N
MW726.80 g/mol
LogP4.74
Rot. Bonds12

About N-[1-[5-[1-[2-ethyl-2-[[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]propan-2-yl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-2-(trifluoromethoxy)benzamide

N-[1-[5-[1-[2-ethyl-2-[[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]propan-2-yl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-2-(trifluoromethoxy)benzamide (PubChem CID 162572336) has the molecular formula C36H45F3N8O5 and a molecular weight of 726.80 g/mol. Its IUPAC name is N-[1-[5-[1-[2-ethyl-2-[[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]propan-2-yl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-[5-[1-[2-ethyl-2-[[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]propan-2-yl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-2-(trifluoromethoxy)benzamide
PubChem CID162572336
Molecular FormulaC36H45F3N8O5
Molecular Weight726.80 g/mol
Exact Mass726.35
IUPAC NameN-[1-[5-[1-[2-ethyl-2-[[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]propan-2-yl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-2-(trifluoromethoxy)benzamide
SMILESCCC1(C(=O)NC2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)CC1CC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccccc3OC(F)(F)F)C2)n[nH]1
InChIInChI=1S/C36H45F3N8O5/c1-5-35(34(51)41-24-11-13-47(19-24)32(49)28-15-26(20(2)3)42-44-28)17-22(35)14-21(4)27-16-29(45-43-27)33(50)46-12-10-23(18-46)40-31(48)25-8-6-7-9-30(25)52-36(37,38)39/h6-9,15-16,20-24H,5,10-14,17-19H2,1-4H3,(H,40,48)(H,41,51)(H,42,44)(H,43,45)
InChIKeyCYOQEUZLPWPXDC-UHFFFAOYSA-N
XLogP4.74
TPSA165.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500726.80
LogP ≤ 54.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[1-[5-[1-[2-ethyl-2-[[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]propan-2-yl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-2-(trifluoromethoxy)benzamide with MolForge

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Related Compounds

N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-propoxybenzamide
CID 121279565
2-propan-2-yloxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
CID 121279734
1-methyl-N-[(3S)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 121279422
1-cyano-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 121279425
2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide;N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole
CID 145062462
3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 121279749
(5-propan-2-yl-1H-pyrazol-3-yl)-[3-[(3,3,3-trifluoro-1-hydroxypropyl)amino]pyrrolidin-1-yl]methanone
CID 162575493
2,6-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 167924107
4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 166351781
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 172646299
2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide
CID 166351832
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-indole-5-carboxamide
CID 121279593

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[1-[2-ethyl-2-[[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]propan-2-yl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[1-[5-[1-[2-ethyl-2-[[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]propan-2-yl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-2-(trifluoromethoxy)benzamide (CID 162572336) is N-[1-[5-[1-[2-ethyl-2-[[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]propan-2-yl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[1-[5-[1-[2-ethyl-2-[[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]propan-2-yl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[1-[5-[1-[2-ethyl-2-[[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]propan-2-yl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-2-(trifluoromethoxy)benzamide is CCC1(C(=O)NC2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)CC1CC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccccc3OC(F)(F)F)C2)n[nH]1.
What is the InChIKey of N-[1-[5-[1-[2-ethyl-2-[[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]propan-2-yl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-2-(trifluoromethoxy)benzamide?
The InChIKey is CYOQEUZLPWPXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45F3N8O5/c1-5-35(34(51)41-24-11-13-47(19-24)32(49)28-15-26(20(2)3)42-44-28)17-22(35)14-21(4)27-16-29(45-43-27)33(50)46-12-10-23(18-46)40-31(48)25-8-6-7-9-30(25)52-36(37,38)39/h6-9,15-16,20-24H,5,10-14,17-19H2,1-4H3,(H,40,48)(H,41,51)(H,42,44)(H,43,45).
What are the key properties of N-[1-[5-[1-[2-ethyl-2-[[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]propan-2-yl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-2-(trifluoromethoxy)benzamide?
N-[1-[5-[1-[2-ethyl-2-[[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]propan-2-yl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-2-(trifluoromethoxy)benzamide has a molecular weight of 726.80 g/mol, XLogP of 4.74, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[1-[2-ethyl-2-[[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]propan-2-yl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 162572336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).