4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine

C17H19FN4O — CID 118060719

IUPAC4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine
SMILESFc1ccc2c(-c3cnn(CCN4CCOCC4)c3)c[nH]c2c1
InChIInChI=1S/C17H19FN4O/c18-14-1-2-15-16(11-19-17(15)9-14)13-10-20-22(12-13)4-3-21-5-7-23-8-6-21/h1-2,9-12,19H,3-8H2
InChIKeyVHPBRLNWNHZHPN-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.50
Rot. Bonds4

About 4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine

4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine (PubChem CID 118060719) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine
PubChem CID118060719
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine
SMILESFc1ccc2c(-c3cnn(CCN4CCOCC4)c3)c[nH]c2c1
InChIInChI=1S/C17H19FN4O/c18-14-1-2-15-16(11-19-17(15)9-14)13-10-20-22(12-13)4-3-21-5-7-23-8-6-21/h1-2,9-12,19H,3-8H2
InChIKeyVHPBRLNWNHZHPN-UHFFFAOYSA-N
XLogP2.50
TPSA46.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 21477
CID 21477
CID 132186817
CID 132186817
CID 135559059
CID 135559059
CID 135559060
CID 135559060
CID 135559061
CID 135559061
CID 155552188
CID 155552188
CID 412865
CID 412865
CID 155529825
CID 155529825
CID 121277778
CID 121277778
CID 11703284
CID 11703284
CID 90054857
CID 90054857
CID 132186583
CID 132186583

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine (CID 118060719) is 4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine is Fc1ccc2c(-c3cnn(CCN4CCOCC4)c3)c[nH]c2c1.
What is the InChIKey of 4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine?
The InChIKey is VHPBRLNWNHZHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-14-1-2-15-16(11-19-17(15)9-14)13-10-20-22(12-13)4-3-21-5-7-23-8-6-21/h1-2,9-12,19H,3-8H2.
What are the key properties of 4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine?
4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine has a molecular weight of 314.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 118060719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).