1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-(quinoxalin-2-ylmethyl)methanamine

C20H22FN5 — CID 75258392

IUPAC1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-(quinoxalin-2-ylmethyl)methanamine
SMILESCN(Cc1cnc2ccccc2n1)CC1CNNC1c1ccc(F)cc1
InChIInChI=1S/C20H22FN5/c1-26(13-17-11-22-18-4-2-3-5-19(18)24-17)12-15-10-23-25-20(15)14-6-8-16(21)9-7-14/h2-9,11,15,20,23,25H,10,12-13H2,1H3
InChIKeyWRZABFSJIDIADS-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.67
Rot. Bonds5

About 1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-(quinoxalin-2-ylmethyl)methanamine

1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-(quinoxalin-2-ylmethyl)methanamine (PubChem CID 75258392) has the molecular formula C20H22FN5 and a molecular weight of 351.43 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-(quinoxalin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-(quinoxalin-2-ylmethyl)methanamine
PubChem CID75258392
Molecular FormulaC20H22FN5
Molecular Weight351.43 g/mol
Exact Mass351.19
IUPAC Name1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-(quinoxalin-2-ylmethyl)methanamine
SMILESCN(Cc1cnc2ccccc2n1)CC1CNNC1c1ccc(F)cc1
InChIInChI=1S/C20H22FN5/c1-26(13-17-11-22-18-4-2-3-5-19(18)24-17)12-15-10-23-25-20(15)14-6-8-16(21)9-7-14/h2-9,11,15,20,23,25H,10,12-13H2,1H3
InChIKeyWRZABFSJIDIADS-UHFFFAOYSA-N
XLogP2.67
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine
CID 134127855
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-[3-(4-phenylphenyl)pyrazolidin-4-yl]methanamine
CID 74499611
1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylmethanamine
CID 74416124
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methanamine
CID 74774906
N,N-dimethyl-2-[methyl(quinoxalin-2-ylmethyl)amino]acetamide
CID 167805171
1-[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine
CID 74810972
N-methyl-1-[5-(oxan-2-yl)furan-2-yl]-N-(quinoxalin-2-ylmethyl)methanamine
CID 74240539
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-quinoxalin-2-ylmethanamine
CID 91835446
N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine
CID 134127818
N-[3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylquinoxalin-2-amine
CID 52989689
N'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine
CID 74552940
N-methyl-N-[[5-[[methyl(quinolin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-quinolin-2-ylmethanamine
CID 74539424

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-(quinoxalin-2-ylmethyl)methanamine?
The IUPAC name of 1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-(quinoxalin-2-ylmethyl)methanamine (CID 75258392) is 1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-(quinoxalin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-(quinoxalin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-(quinoxalin-2-ylmethyl)methanamine is CN(Cc1cnc2ccccc2n1)CC1CNNC1c1ccc(F)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-(quinoxalin-2-ylmethyl)methanamine?
The InChIKey is WRZABFSJIDIADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5/c1-26(13-17-11-22-18-4-2-3-5-19(18)24-17)12-15-10-23-25-20(15)14-6-8-16(21)9-7-14/h2-9,11,15,20,23,25H,10,12-13H2,1H3.
What are the key properties of 1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-(quinoxalin-2-ylmethyl)methanamine?
1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-(quinoxalin-2-ylmethyl)methanamine has a molecular weight of 351.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-(quinoxalin-2-ylmethyl)methanamine is sourced from PubChem (CID 75258392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).