N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide

C21H19FN4O2 — CID 171358022

IUPACN-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCCN(C(=O)c1cnn2c1[nH]c(=O)c1ccccc12)[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C21H19FN4O2/c1-3-25(13(2)14-8-10-15(22)11-9-14)21(28)17-12-23-26-18-7-5-4-6-16(18)20(27)24-19(17)26/h4-13H,3H2,1-2H3,(H,24,27)/t13-/m0/s1
InChIKeyPYFPVNCYEPOXEC-ZDUSSCGKSA-N
MW378.41 g/mol
LogP3.54
Rot. Bonds4

About N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide

N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 171358022) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID171358022
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC NameN-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCCN(C(=O)c1cnn2c1[nH]c(=O)c1ccccc12)[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C21H19FN4O2/c1-3-25(13(2)14-8-10-15(22)11-9-14)21(28)17-12-23-26-18-7-5-4-6-16(18)20(27)24-19(17)26/h4-13H,3H2,1-2H3,(H,24,27)/t13-/m0/s1
InChIKeyPYFPVNCYEPOXEC-ZDUSSCGKSA-N
XLogP3.54
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide (CID 171358022) is N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide is CCN(C(=O)c1cnn2c1[nH]c(=O)c1ccccc12)[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is PYFPVNCYEPOXEC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-3-25(13(2)14-8-10-15(22)11-9-14)21(28)17-12-23-26-18-7-5-4-6-16(18)20(27)24-19(17)26/h4-13H,3H2,1-2H3,(H,24,27)/t13-/m0/s1.
What are the key properties of N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 171358022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).