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

C23H27FN4 — CID 95892061

IUPAC(3R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N,1-dimethylpyrrolidin-3-amine
SMILESCc1cccc(-n2cc(CN(C)[C@@H]3CCN(C)C3)c(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C23H27FN4/c1-17-6-4-9-21(12-17)28-15-19(14-27(3)22-10-11-26(2)16-22)23(25-28)18-7-5-8-20(24)13-18/h4-9,12-13,15,22H,10-11,14,16H2,1-3H3/t22-/m1/s1
InChIKeyGRPWEGBQWMIHTR-JOCHJYFZSA-N
MW378.50 g/mol
LogP4.12
Rot. Bonds5

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

(3R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N,1-dimethylpyrrolidin-3-amine (PubChem CID 95892061) has the molecular formula C23H27FN4 and a molecular weight of 378.50 g/mol. Its IUPAC name is (3R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N,1-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N,1-dimethylpyrrolidin-3-amine
PubChem CID95892061
Molecular FormulaC23H27FN4
Molecular Weight378.50 g/mol
Exact Mass378.22
IUPAC Name(3R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N,1-dimethylpyrrolidin-3-amine
SMILESCc1cccc(-n2cc(CN(C)[C@@H]3CCN(C)C3)c(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C23H27FN4/c1-17-6-4-9-21(12-17)28-15-19(14-27(3)22-10-11-26(2)16-22)23(25-28)18-7-5-8-20(24)13-18/h4-9,12-13,15,22H,10-11,14,16H2,1-3H3/t22-/m1/s1
InChIKeyGRPWEGBQWMIHTR-JOCHJYFZSA-N
XLogP4.12
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine
CID 29151070
(4S)-1-ethyl-4-[[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 25460197
1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine
CID 42567707
N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine
CID 28730007
4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methylamino]cyclohexan-1-ol
CID 42215151
2-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-propan-2-ylamino]ethanol
CID 25378437
4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-2-one
CID 70768807
(1R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 42462698
N-[2-[1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]ethyl]acetamide
CID 26332794
[(3R)-4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol
CID 95873525
[4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol
CID 70747526
(3R)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 51634375

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N,1-dimethylpyrrolidin-3-amine?
The IUPAC name of (3R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N,1-dimethylpyrrolidin-3-amine (CID 95892061) is (3R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N,1-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N,1-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N,1-dimethylpyrrolidin-3-amine is Cc1cccc(-n2cc(CN(C)[C@@H]3CCN(C)C3)c(-c3cccc(F)c3)n2)c1.
What is the InChIKey of (3R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N,1-dimethylpyrrolidin-3-amine?
The InChIKey is GRPWEGBQWMIHTR-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H27FN4/c1-17-6-4-9-21(12-17)28-15-19(14-27(3)22-10-11-26(2)16-22)23(25-28)18-7-5-8-20(24)13-18/h4-9,12-13,15,22H,10-11,14,16H2,1-3H3/t22-/m1/s1.
What are the key properties of (3R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N,1-dimethylpyrrolidin-3-amine?
(3R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N,1-dimethylpyrrolidin-3-amine has a molecular weight of 378.50 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N,1-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 95892061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).