N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-methyl-1-propylpyrazol-5-amine

C18H24FN3O — CID 45212300

IUPACN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-methyl-1-propylpyrazol-5-amine
SMILESCCCn1ncc(C)c1NCC1(c2cccc(F)c2)CCOC1
InChIInChI=1S/C18H24FN3O/c1-3-8-22-17(14(2)11-21-22)20-12-18(7-9-23-13-18)15-5-4-6-16(19)10-15/h4-6,10-11,20H,3,7-9,12-13H2,1-2H3
InChIKeyTZUFHPXWRKFCQD-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.51
Rot. Bonds6

About N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-methyl-1-propylpyrazol-5-amine

N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-methyl-1-propylpyrazol-5-amine (PubChem CID 45212300) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-methyl-1-propylpyrazol-5-amine.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-methyl-1-propylpyrazol-5-amine
PubChem CID45212300
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC NameN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-methyl-1-propylpyrazol-5-amine
SMILESCCCn1ncc(C)c1NCC1(c2cccc(F)c2)CCOC1
InChIInChI=1S/C18H24FN3O/c1-3-8-22-17(14(2)11-21-22)20-12-18(7-9-23-13-18)15-5-4-6-16(19)10-15/h4-6,10-11,20H,3,7-9,12-13H2,1-2H3
InChIKeyTZUFHPXWRKFCQD-UHFFFAOYSA-N
XLogP3.51
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-methyl-1-propylpyrazol-5-amine?
The IUPAC name of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-methyl-1-propylpyrazol-5-amine (CID 45212300) is N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-methyl-1-propylpyrazol-5-amine.
What is the SMILES notation for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-methyl-1-propylpyrazol-5-amine?
The canonical SMILES for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-methyl-1-propylpyrazol-5-amine is CCCn1ncc(C)c1NCC1(c2cccc(F)c2)CCOC1.
What is the InChIKey of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-methyl-1-propylpyrazol-5-amine?
The InChIKey is TZUFHPXWRKFCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-3-8-22-17(14(2)11-21-22)20-12-18(7-9-23-13-18)15-5-4-6-16(19)10-15/h4-6,10-11,20H,3,7-9,12-13H2,1-2H3.
What are the key properties of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-methyl-1-propylpyrazol-5-amine?
N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-methyl-1-propylpyrazol-5-amine has a molecular weight of 317.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-methyl-1-propylpyrazol-5-amine is sourced from PubChem (CID 45212300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).