N,N-dimethyl-4-[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]aniline

C20H19F3N4 — CID 4021325

IUPACN,N-dimethyl-4-[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]aniline
SMILESCN(C)c1ccc(-c2nn(-c3cccc(C(F)(F)F)c3)c3c2CCN3)cc1
InChIInChI=1S/C20H19F3N4/c1-26(2)15-8-6-13(7-9-15)18-17-10-11-24-19(17)27(25-18)16-5-3-4-14(12-16)20(21,22)23/h3-9,12,24H,10-11H2,1-2H3
InChIKeyMRLUIQIRGPCWCN-UHFFFAOYSA-N
MW372.39 g/mol
LogP4.59
Rot. Bonds3

About N,N-dimethyl-4-[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]aniline

N,N-dimethyl-4-[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]aniline (PubChem CID 4021325) has the molecular formula C20H19F3N4 and a molecular weight of 372.39 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]aniline
PubChem CID4021325
Molecular FormulaC20H19F3N4
Molecular Weight372.39 g/mol
Exact Mass372.16
IUPAC NameN,N-dimethyl-4-[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]aniline
SMILESCN(C)c1ccc(-c2nn(-c3cccc(C(F)(F)F)c3)c3c2CCN3)cc1
InChIInChI=1S/C20H19F3N4/c1-26(2)15-8-6-13(7-9-15)18-17-10-11-24-19(17)27(25-18)16-5-3-4-14(12-16)20(21,22)23/h3-9,12,24H,10-11H2,1-2H3
InChIKeyMRLUIQIRGPCWCN-UHFFFAOYSA-N
XLogP4.59
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4983934
4-[1-(3,4-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]-N,N-dimethylaniline
CID 4264880
3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3358302
1-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4692337
4-[1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]-N,N-dimethylaniline
CID 4216568
3-(3,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4020676
1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 5253118
4-[1-(2-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]-N,N-dimethylaniline
CID 3892368
1,3-bis(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4539869
1-(2,3-dimethylphenyl)-3-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3643839
3-[1-(4-iodophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]-N,N-dimethylaniline
CID 3915467
4-[3-[3-(dimethylamino)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-1-yl]benzoic acid
CID 5204838

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]aniline (CID 4021325) is N,N-dimethyl-4-[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]aniline is CN(C)c1ccc(-c2nn(-c3cccc(C(F)(F)F)c3)c3c2CCN3)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]aniline?
The InChIKey is MRLUIQIRGPCWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4/c1-26(2)15-8-6-13(7-9-15)18-17-10-11-24-19(17)27(25-18)16-5-3-4-14(12-16)20(21,22)23/h3-9,12,24H,10-11H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]aniline?
N,N-dimethyl-4-[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]aniline has a molecular weight of 372.39 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]aniline is sourced from PubChem (CID 4021325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).