1-(7-phenyl-4-pyrrolidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid

C22H19N5O2 — CID 56656538

IUPAC1-(7-phenyl-4-pyrrolidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2nc(N3CCCC3)c3ccc(-c4ccccc4)cc3n2)c1
InChIInChI=1S/C22H19N5O2/c28-21(29)17-13-23-27(14-17)22-24-19-12-16(15-6-2-1-3-7-15)8-9-18(19)20(25-22)26-10-4-5-11-26/h1-3,6-9,12-14H,4-5,10-11H2,(H,28,29)
InChIKeyQUFHERJNMOKARW-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.78
Rot. Bonds4

About 1-(7-phenyl-4-pyrrolidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid

1-(7-phenyl-4-pyrrolidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid (PubChem CID 56656538) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 1-(7-phenyl-4-pyrrolidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(7-phenyl-4-pyrrolidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
PubChem CID56656538
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name1-(7-phenyl-4-pyrrolidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2nc(N3CCCC3)c3ccc(-c4ccccc4)cc3n2)c1
InChIInChI=1S/C22H19N5O2/c28-21(29)17-13-23-27(14-17)22-24-19-12-16(15-6-2-1-3-7-15)8-9-18(19)20(25-22)26-10-4-5-11-26/h1-3,6-9,12-14H,4-5,10-11H2,(H,28,29)
InChIKeyQUFHERJNMOKARW-UHFFFAOYSA-N
XLogP3.78
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(7-phenyl-4-pyrrolidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(7-phenyl-4-pyrrolidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(7-phenyl-4-pyrrolidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid (CID 56656538) is 1-(7-phenyl-4-pyrrolidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(7-phenyl-4-pyrrolidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(7-phenyl-4-pyrrolidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2nc(N3CCCC3)c3ccc(-c4ccccc4)cc3n2)c1.
What is the InChIKey of 1-(7-phenyl-4-pyrrolidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid?
The InChIKey is QUFHERJNMOKARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c28-21(29)17-13-23-27(14-17)22-24-19-12-16(15-6-2-1-3-7-15)8-9-18(19)20(25-22)26-10-4-5-11-26/h1-3,6-9,12-14H,4-5,10-11H2,(H,28,29).
What are the key properties of 1-(7-phenyl-4-pyrrolidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid?
1-(7-phenyl-4-pyrrolidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid has a molecular weight of 385.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-phenyl-4-pyrrolidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 56656538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).