2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one

C19H25N5O2 — CID 41106928

IUPAC2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)N2CCCC2)CCCC3)n1
InChIInChI=1S/C19H25N5O2/c1-13-11-14(2)24(21-13)19-20-16-8-4-3-7-15(16)18(26)23(19)12-17(25)22-9-5-6-10-22/h11H,3-10,12H2,1-2H3
InChIKeyRJELCLNCHVJFFP-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.55
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one

2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 41106928) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID41106928
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)N2CCCC2)CCCC3)n1
InChIInChI=1S/C19H25N5O2/c1-13-11-14(2)24(21-13)19-20-16-8-4-3-7-15(16)18(26)23(19)12-17(25)22-9-5-6-10-22/h11H,3-10,12H2,1-2H3
InChIKeyRJELCLNCHVJFFP-UHFFFAOYSA-N
XLogP1.55
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one (CID 41106928) is 2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one is Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)N2CCCC2)CCCC3)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is RJELCLNCHVJFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13-11-14(2)24(21-13)19-20-16-8-4-3-7-15(16)18(26)23(19)12-17(25)22-9-5-6-10-22/h11H,3-10,12H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one?
2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 355.44 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 41106928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).