6-fluoro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine

C16H20FN3O — CID 114710798

IUPAC6-fluoro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CC(c2cnn(C)c2)Oc2ccc(F)cc21
InChIInChI=1S/C16H20FN3O/c1-3-6-18-14-8-16(11-9-19-20(2)10-11)21-15-5-4-12(17)7-13(14)15/h4-5,7,9-10,14,16,18H,3,6,8H2,1-2H3
InChIKeyXTHZMDWXXACWDN-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.12
Rot. Bonds4

About 6-fluoro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine

6-fluoro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114710798) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 6-fluoro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-fluoro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114710798
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name6-fluoro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CC(c2cnn(C)c2)Oc2ccc(F)cc21
InChIInChI=1S/C16H20FN3O/c1-3-6-18-14-8-16(11-9-19-20(2)10-11)21-15-5-4-12(17)7-13(14)15/h4-5,7,9-10,14,16,18H,3,6,8H2,1-2H3
InChIKeyXTHZMDWXXACWDN-UHFFFAOYSA-N
XLogP3.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-fluoro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine (CID 114710798) is 6-fluoro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-fluoro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-fluoro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine is CCCNC1CC(c2cnn(C)c2)Oc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is XTHZMDWXXACWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-3-6-18-14-8-16(11-9-19-20(2)10-11)21-15-5-4-12(17)7-13(14)15/h4-5,7,9-10,14,16,18H,3,6,8H2,1-2H3.
What are the key properties of 6-fluoro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
6-fluoro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 289.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114710798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).