N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(pyridin-3-ylmethyl)pyrazol-3-amine

C20H21FN4O — CID 45241400

IUPACN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(pyridin-3-ylmethyl)pyrazol-3-amine
SMILESFc1cccc(C2(CNc3ccnn3Cc3cccnc3)CCOC2)c1
InChIInChI=1S/C20H21FN4O/c21-18-5-1-4-17(11-18)20(7-10-26-15-20)14-23-19-6-9-24-25(19)13-16-3-2-8-22-12-16/h1-6,8-9,11-12,23H,7,10,13-15H2
InChIKeyDGWFWVKDHGGOQG-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.24
Rot. Bonds6

About N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(pyridin-3-ylmethyl)pyrazol-3-amine

N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(pyridin-3-ylmethyl)pyrazol-3-amine (PubChem CID 45241400) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(pyridin-3-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(pyridin-3-ylmethyl)pyrazol-3-amine
PubChem CID45241400
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC NameN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(pyridin-3-ylmethyl)pyrazol-3-amine
SMILESFc1cccc(C2(CNc3ccnn3Cc3cccnc3)CCOC2)c1
InChIInChI=1S/C20H21FN4O/c21-18-5-1-4-17(11-18)20(7-10-26-15-20)14-23-19-6-9-24-25(19)13-16-3-2-8-22-12-16/h1-6,8-9,11-12,23H,7,10,13-15H2
InChIKeyDGWFWVKDHGGOQG-UHFFFAOYSA-N
XLogP3.24
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(pyridin-3-ylmethyl)pyrazol-3-amine?
The IUPAC name of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(pyridin-3-ylmethyl)pyrazol-3-amine (CID 45241400) is N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(pyridin-3-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(pyridin-3-ylmethyl)pyrazol-3-amine?
The canonical SMILES for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(pyridin-3-ylmethyl)pyrazol-3-amine is Fc1cccc(C2(CNc3ccnn3Cc3cccnc3)CCOC2)c1.
What is the InChIKey of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(pyridin-3-ylmethyl)pyrazol-3-amine?
The InChIKey is DGWFWVKDHGGOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c21-18-5-1-4-17(11-18)20(7-10-26-15-20)14-23-19-6-9-24-25(19)13-16-3-2-8-22-12-16/h1-6,8-9,11-12,23H,7,10,13-15H2.
What are the key properties of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(pyridin-3-ylmethyl)pyrazol-3-amine?
N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(pyridin-3-ylmethyl)pyrazol-3-amine has a molecular weight of 352.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(pyridin-3-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 45241400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).