N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpyrazol-4-amine

C15H18FN3S — CID 62902478

IUPACN-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)n1cc(NC2CCSc3c(F)cccc32)cn1
InChIInChI=1S/C15H18FN3S/c1-10(2)19-9-11(8-17-19)18-14-6-7-20-15-12(14)4-3-5-13(15)16/h3-5,8-10,14,18H,6-7H2,1-2H3
InChIKeyQLCXWZXFOXJCHE-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.25
Rot. Bonds3

About N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpyrazol-4-amine

N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpyrazol-4-amine (PubChem CID 62902478) has the molecular formula C15H18FN3S and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpyrazol-4-amine
PubChem CID62902478
Molecular FormulaC15H18FN3S
Molecular Weight291.40 g/mol
Exact Mass291.12
IUPAC NameN-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)n1cc(NC2CCSc3c(F)cccc32)cn1
InChIInChI=1S/C15H18FN3S/c1-10(2)19-9-11(8-17-19)18-14-6-7-20-15-12(14)4-3-5-13(15)16/h3-5,8-10,14,18H,6-7H2,1-2H3
InChIKeyQLCXWZXFOXJCHE-UHFFFAOYSA-N
XLogP4.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpyrazol-4-amine (CID 62902478) is N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpyrazol-4-amine is CC(C)n1cc(NC2CCSc3c(F)cccc32)cn1.
What is the InChIKey of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpyrazol-4-amine?
The InChIKey is QLCXWZXFOXJCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c1-10(2)19-9-11(8-17-19)18-14-6-7-20-15-12(14)4-3-5-13(15)16/h3-5,8-10,14,18H,6-7H2,1-2H3.
What are the key properties of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpyrazol-4-amine?
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpyrazol-4-amine has a molecular weight of 291.40 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 62902478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).