4-[1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]-N,N-dimethylaniline

C19H19FN4 — CID 4216568

IUPAC4-[1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nn(-c3ccccc3F)c3c2CCN3)cc1
InChIInChI=1S/C19H19FN4/c1-23(2)14-9-7-13(8-10-14)18-15-11-12-21-19(15)24(22-18)17-6-4-3-5-16(17)20/h3-10,21H,11-12H2,1-2H3
InChIKeyMCCAVPJHIGNJRM-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.71
Rot. Bonds3

About 4-[1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]-N,N-dimethylaniline

4-[1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]-N,N-dimethylaniline (PubChem CID 4216568) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-[1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]-N,N-dimethylaniline
PubChem CID4216568
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Name4-[1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nn(-c3ccccc3F)c3c2CCN3)cc1
InChIInChI=1S/C19H19FN4/c1-23(2)14-9-7-13(8-10-14)18-15-11-12-21-19(15)24(22-18)17-6-4-3-5-16(17)20/h3-10,21H,11-12H2,1-2H3
InChIKeyMCCAVPJHIGNJRM-UHFFFAOYSA-N
XLogP3.71
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(2-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]-N,N-dimethylaniline
CID 3892368
3-(3,5-dimethoxyphenyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4297368
1-(2-fluorophenyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4621146
1-(2-fluorophenyl)-3-(5-methylthiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4998025
1-(2-fluorophenyl)-3-(2-methylsulfanylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 5095792
N,N-dimethyl-4-[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]aniline
CID 4021325
4-[1-(3,4-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]-N,N-dimethylaniline
CID 4264880
1-(2-fluorophenyl)-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3932177
3-(4-fluorophenyl)-1-(2-methylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 5179567
1-(2,3-dimethylphenyl)-3-phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 5244134
3-(5-bromo-2-methoxyphenyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3486602
3-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3358435

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]-N,N-dimethylaniline (CID 4216568) is 4-[1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2nn(-c3ccccc3F)c3c2CCN3)cc1.
What is the InChIKey of 4-[1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]-N,N-dimethylaniline?
The InChIKey is MCCAVPJHIGNJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c1-23(2)14-9-7-13(8-10-14)18-15-11-12-21-19(15)24(22-18)17-6-4-3-5-16(17)20/h3-10,21H,11-12H2,1-2H3.
What are the key properties of 4-[1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]-N,N-dimethylaniline?
4-[1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]-N,N-dimethylaniline has a molecular weight of 322.39 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]-N,N-dimethylaniline is sourced from PubChem (CID 4216568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).