N-[[3-(2,4-difluorophenyl)pyrazolidin-4-yl]methyl]-1-pyridin-3-ylpropan-2-amine

C18H22F2N4 — CID 75099835

IUPACN-[[3-(2,4-difluorophenyl)pyrazolidin-4-yl]methyl]-1-pyridin-3-ylpropan-2-amine
SMILESCC(Cc1cccnc1)NCC1CNNC1c1ccc(F)cc1F
InChIInChI=1S/C18H22F2N4/c1-12(7-13-3-2-6-21-9-13)22-10-14-11-23-24-18(14)16-5-4-15(19)8-17(16)20/h2-6,8-9,12,14,18,22-24H,7,10-11H2,1H3
InChIKeyBWMDYSYELQNCKG-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.35
Rot. Bonds6

About N-[[3-(2,4-difluorophenyl)pyrazolidin-4-yl]methyl]-1-pyridin-3-ylpropan-2-amine

N-[[3-(2,4-difluorophenyl)pyrazolidin-4-yl]methyl]-1-pyridin-3-ylpropan-2-amine (PubChem CID 75099835) has the molecular formula C18H22F2N4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[[3-(2,4-difluorophenyl)pyrazolidin-4-yl]methyl]-1-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,4-difluorophenyl)pyrazolidin-4-yl]methyl]-1-pyridin-3-ylpropan-2-amine
PubChem CID75099835
Molecular FormulaC18H22F2N4
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[[3-(2,4-difluorophenyl)pyrazolidin-4-yl]methyl]-1-pyridin-3-ylpropan-2-amine
SMILESCC(Cc1cccnc1)NCC1CNNC1c1ccc(F)cc1F
InChIInChI=1S/C18H22F2N4/c1-12(7-13-3-2-6-21-9-13)22-10-14-11-23-24-18(14)16-5-4-15(19)8-17(16)20/h2-6,8-9,12,14,18,22-24H,7,10-11H2,1H3
InChIKeyBWMDYSYELQNCKG-UHFFFAOYSA-N
XLogP2.35
TPSA48.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 115709037
1-[3-(4-chlorophenyl)pyrazolidin-4-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 78305057
1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 54864314
N-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62802705
1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62553243
1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552908
3-[2-(3-fluorophenyl)-2-phenylethyl]pyridine
CID 176898824
1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62551911
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
N-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine
CID 155119456
trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[2-(pyridin-3-ylmethyl)phenyl]cyclopropane-1-carboxamide
CID 99785302
N-ethyl-1-[4-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 63265153

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,4-difluorophenyl)pyrazolidin-4-yl]methyl]-1-pyridin-3-ylpropan-2-amine?
The IUPAC name of N-[[3-(2,4-difluorophenyl)pyrazolidin-4-yl]methyl]-1-pyridin-3-ylpropan-2-amine (CID 75099835) is N-[[3-(2,4-difluorophenyl)pyrazolidin-4-yl]methyl]-1-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for N-[[3-(2,4-difluorophenyl)pyrazolidin-4-yl]methyl]-1-pyridin-3-ylpropan-2-amine?
The canonical SMILES for N-[[3-(2,4-difluorophenyl)pyrazolidin-4-yl]methyl]-1-pyridin-3-ylpropan-2-amine is CC(Cc1cccnc1)NCC1CNNC1c1ccc(F)cc1F.
What is the InChIKey of N-[[3-(2,4-difluorophenyl)pyrazolidin-4-yl]methyl]-1-pyridin-3-ylpropan-2-amine?
The InChIKey is BWMDYSYELQNCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4/c1-12(7-13-3-2-6-21-9-13)22-10-14-11-23-24-18(14)16-5-4-15(19)8-17(16)20/h2-6,8-9,12,14,18,22-24H,7,10-11H2,1H3.
What are the key properties of N-[[3-(2,4-difluorophenyl)pyrazolidin-4-yl]methyl]-1-pyridin-3-ylpropan-2-amine?
N-[[3-(2,4-difluorophenyl)pyrazolidin-4-yl]methyl]-1-pyridin-3-ylpropan-2-amine has a molecular weight of 332.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,4-difluorophenyl)pyrazolidin-4-yl]methyl]-1-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 75099835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).