(3R)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine

C23H27FN4O — CID 51634375

IUPAC(3R)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCOc1ccc(-n2cc(CN3CC[C@@H](N(C)C)C3)c(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C23H27FN4O/c1-26(2)21-11-12-27(16-21)14-18-15-28(20-7-9-22(29-3)10-8-20)25-23(18)17-5-4-6-19(24)13-17/h4-10,13,15,21H,11-12,14,16H2,1-3H3/t21-/m1/s1
InChIKeyQFMBMJXXIFLXFW-OAQYLSRUSA-N
MW394.49 g/mol
LogP3.82
Rot. Bonds6

About (3R)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine

(3R)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 51634375) has the molecular formula C23H27FN4O and a molecular weight of 394.49 g/mol. Its IUPAC name is (3R)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID51634375
Molecular FormulaC23H27FN4O
Molecular Weight394.49 g/mol
Exact Mass394.22
IUPAC Name(3R)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCOc1ccc(-n2cc(CN3CC[C@@H](N(C)C)C3)c(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C23H27FN4O/c1-26(2)21-11-12-27(16-21)14-18-15-28(20-7-9-22(29-3)10-8-20)25-23(18)17-5-4-6-19(24)13-17/h4-10,13,15,21H,11-12,14,16H2,1-3H3/t21-/m1/s1
InChIKeyQFMBMJXXIFLXFW-OAQYLSRUSA-N
XLogP3.82
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
CID 95876935
(3S)-1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 95863282
(3R)-1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 95863281
1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 45179657
1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine
CID 42567707
1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 70732263
N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide
CID 42473482
(1S)-N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 42244815
1-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
CID 70711620
methyl 4-[[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methylamino]methyl]benzoate
CID 42512571
(3R)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 26406111
(3R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N,1-dimethylpyrrolidin-3-amine
CID 95892061

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine (CID 51634375) is (3R)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine is COc1ccc(-n2cc(CN3CC[C@@H](N(C)C)C3)c(-c3cccc(F)c3)n2)cc1.
What is the InChIKey of (3R)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is QFMBMJXXIFLXFW-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27FN4O/c1-26(2)21-11-12-27(16-21)14-18-15-28(20-7-9-22(29-3)10-8-20)25-23(18)17-5-4-6-19(24)13-17/h4-10,13,15,21H,11-12,14,16H2,1-3H3/t21-/m1/s1.
What are the key properties of (3R)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
(3R)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 394.49 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 51634375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).