1-[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine

C19H26F2N4 — CID 95149337

IUPAC1-[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
SMILESCC(C)c1nn(C)cc1CNC[C@H]1CCN(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C19H26F2N4/c1-13(2)19-15(12-24(3)23-19)10-22-9-14-6-7-25(11-14)16-4-5-17(20)18(21)8-16/h4-5,8,12-14,22H,6-7,9-11H2,1-3H3/t14-/m1/s1
InChIKeyGRINTGFDNMZABF-CQSZACIVSA-N
MW348.44 g/mol
LogP3.44
Rot. Bonds6

About 1-[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine

1-[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine (PubChem CID 95149337) has the molecular formula C19H26F2N4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
PubChem CID95149337
Molecular FormulaC19H26F2N4
Molecular Weight348.44 g/mol
Exact Mass348.21
IUPAC Name1-[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
SMILESCC(C)c1nn(C)cc1CNC[C@H]1CCN(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C19H26F2N4/c1-13(2)19-15(12-24(3)23-19)10-22-9-14-6-7-25(11-14)16-4-5-17(20)18(21)8-16/h4-5,8,12-14,22H,6-7,9-11H2,1-3H3/t14-/m1/s1
InChIKeyGRINTGFDNMZABF-CQSZACIVSA-N
XLogP3.44
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methylamino]-2-methylbutan-2-ol
CID 138006399
N-(1,3-benzodioxol-4-ylmethyl)-1-[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methanamine
CID 95261239
(1R)-N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 97230791
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 75382980
N-[[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 114263166
4-bromo-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562602
1-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111000869
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 86848786
(1R)-N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-pyridin-3-ylethanamine
CID 97158257
N-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(methylamino)acetamide
CID 100647189
N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 95290703
1-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3-ethyl-2-(2-methylpropyl)guanidine
CID 111180019

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine (CID 95149337) is 1-[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine is CC(C)c1nn(C)cc1CNC[C@H]1CCN(c2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The InChIKey is GRINTGFDNMZABF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26F2N4/c1-13(2)19-15(12-24(3)23-19)10-22-9-14-6-7-25(11-14)16-4-5-17(20)18(21)8-16/h4-5,8,12-14,22H,6-7,9-11H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine?
1-[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine has a molecular weight of 348.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 95149337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).