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

C18H23FN4 — CID 134127855

IUPAC1-[3-(3-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine
SMILESCc1cc(CN(C)CC2CNNC2c2cccc(F)c2)ccn1
InChIInChI=1S/C18H23FN4/c1-13-8-14(6-7-20-13)11-23(2)12-16-10-21-22-18(16)15-4-3-5-17(19)9-15/h3-9,16,18,21-22H,10-12H2,1-2H3
InChIKeyREGWWNPBMSRVBH-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.43
Rot. Bonds5

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

1-[3-(3-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine (PubChem CID 134127855) has the molecular formula C18H23FN4 and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-[3-(3-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-(3-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine
PubChem CID134127855
Molecular FormulaC18H23FN4
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC Name1-[3-(3-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine
SMILESCc1cc(CN(C)CC2CNNC2c2cccc(F)c2)ccn1
InChIInChI=1S/C18H23FN4/c1-13-8-14(6-7-20-13)11-23(2)12-16-10-21-22-18(16)15-4-3-5-17(19)9-15/h3-9,16,18,21-22H,10-12H2,1-2H3
InChIKeyREGWWNPBMSRVBH-UHFFFAOYSA-N
XLogP2.43
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine?
The IUPAC name of 1-[3-(3-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine (CID 134127855) is 1-[3-(3-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-[3-(3-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-[3-(3-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine is Cc1cc(CN(C)CC2CNNC2c2cccc(F)c2)ccn1.
What is the InChIKey of 1-[3-(3-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine?
The InChIKey is REGWWNPBMSRVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4/c1-13-8-14(6-7-20-13)11-23(2)12-16-10-21-22-18(16)15-4-3-5-17(19)9-15/h3-9,16,18,21-22H,10-12H2,1-2H3.
What are the key properties of 1-[3-(3-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine?
1-[3-(3-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine has a molecular weight of 314.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine is sourced from PubChem (CID 134127855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).