N-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]acetamide

C24H29F3N6O2 — CID 142483174

IUPACN-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(C(=O)N2CC3CN(Cc4ccc(N5CCCC5)cc4C(F)(F)F)CC3C2)n1
InChIInChI=1S/C24H29F3N6O2/c1-16(34)28-22-6-9-33(29-22)23(35)32-14-18-12-30(13-19(18)15-32)11-17-4-5-20(31-7-2-3-8-31)10-21(17)24(25,26)27/h4-6,9-10,18-19H,2-3,7-8,11-15H2,1H3,(H,28,29,34)
InChIKeyQBBONRMDZRIFCX-UHFFFAOYSA-N
MW490.53 g/mol
LogP3.49
Rot. Bonds4

About N-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]acetamide

N-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]acetamide (PubChem CID 142483174) has the molecular formula C24H29F3N6O2 and a molecular weight of 490.53 g/mol. Its IUPAC name is N-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]acetamide
PubChem CID142483174
Molecular FormulaC24H29F3N6O2
Molecular Weight490.53 g/mol
Exact Mass490.23
IUPAC NameN-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(C(=O)N2CC3CN(Cc4ccc(N5CCCC5)cc4C(F)(F)F)CC3C2)n1
InChIInChI=1S/C24H29F3N6O2/c1-16(34)28-22-6-9-33(29-22)23(35)32-14-18-12-30(13-19(18)15-32)11-17-4-5-20(31-7-2-3-8-31)10-21(17)24(25,26)27/h4-6,9-10,18-19H,2-3,7-8,11-15H2,1H3,(H,28,29,34)
InChIKeyQBBONRMDZRIFCX-UHFFFAOYSA-N
XLogP3.49
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze N-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]acetamide with MolForge

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Related Compounds

US10323038, Example 279
CID 135375595
US10323038, Example 100
CID 135375759
US10323038, Example 130
CID 135375773
US10323038, Example 96
CID 135375896
US10323038, Example 112
CID 135376026
US11149037, Example 22
CID 135387794
US11149037, Example 23
CID 135388433
US10323038, Example 93
CID 138716591
US11149037, Example 172
CID 142483080
1-[2-(3,4-Dimethylphenyl)pyrazol-3-yl]-3-[4-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 129080549
1-[4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-3-yl)urea
CID 130396041
N-methyl-N-[1-[1-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide
CID 135332039

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]acetamide (CID 142483174) is N-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn(C(=O)N2CC3CN(Cc4ccc(N5CCCC5)cc4C(F)(F)F)CC3C2)n1.
What is the InChIKey of N-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]acetamide?
The InChIKey is QBBONRMDZRIFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N6O2/c1-16(34)28-22-6-9-33(29-22)23(35)32-14-18-12-30(13-19(18)15-32)11-17-4-5-20(31-7-2-3-8-31)10-21(17)24(25,26)27/h4-6,9-10,18-19H,2-3,7-8,11-15H2,1H3,(H,28,29,34).
What are the key properties of N-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]acetamide?
N-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]acetamide has a molecular weight of 490.53 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 142483174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).