5-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C19H18FN5O — CID 1487690

IUPAC5-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2cc(CCN3CCOCC3)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C19H18FN5O/c20-17-3-1-14(2-4-17)18-15(5-6-24-7-9-26-10-8-24)13-25-19(23-18)16(11-21)12-22-25/h1-4,12-13H,5-10H2
InChIKeyIRMARSGHUWGXFG-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.28
Rot. Bonds4

About 5-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 1487690) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID1487690
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name5-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2cc(CCN3CCOCC3)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C19H18FN5O/c20-17-3-1-14(2-4-17)18-15(5-6-24-7-9-26-10-8-24)13-25-19(23-18)16(11-21)12-22-25/h1-4,12-13H,5-10H2
InChIKeyIRMARSGHUWGXFG-UHFFFAOYSA-N
XLogP2.28
TPSA66.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 1487690) is 5-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2cc(CCN3CCOCC3)c(-c3ccc(F)cc3)nc12.
What is the InChIKey of 5-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is IRMARSGHUWGXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c20-17-3-1-14(2-4-17)18-15(5-6-24-7-9-26-10-8-24)13-25-19(23-18)16(11-21)12-22-25/h1-4,12-13H,5-10H2.
What are the key properties of 5-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 351.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 1487690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).