4-(1,3-diphenylpyrazol-4-yl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione

C23H20N4O2 — CID 46196862

IUPAC4-(1,3-diphenylpyrazol-4-yl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SMILESO=C1NC2=C(C(=O)CCC2)C(c2cn(-c3ccccc3)nc2-c2ccccc2)N1
InChIInChI=1S/C23H20N4O2/c28-19-13-7-12-18-20(19)22(25-23(29)24-18)17-14-27(16-10-5-2-6-11-16)26-21(17)15-8-3-1-4-9-15/h1-6,8-11,14,22H,7,12-13H2,(H2,24,25,29)
InChIKeyUELBUNDDVPGXMI-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.90
Rot. Bonds3

About 4-(1,3-diphenylpyrazol-4-yl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione

4-(1,3-diphenylpyrazol-4-yl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione (PubChem CID 46196862) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-(1,3-diphenylpyrazol-4-yl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione.

Molecular Properties

Compound Name4-(1,3-diphenylpyrazol-4-yl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
PubChem CID46196862
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name4-(1,3-diphenylpyrazol-4-yl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SMILESO=C1NC2=C(C(=O)CCC2)C(c2cn(-c3ccccc3)nc2-c2ccccc2)N1
InChIInChI=1S/C23H20N4O2/c28-19-13-7-12-18-20(19)22(25-23(29)24-18)17-14-27(16-10-5-2-6-11-16)26-21(17)15-8-3-1-4-9-15/h1-6,8-11,14,22H,7,12-13H2,(H2,24,25,29)
InChIKeyUELBUNDDVPGXMI-UHFFFAOYSA-N
XLogP3.90
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1,3-diphenylpyrazol-4-yl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione with MolForge

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Related Compounds

methyl 4-(1,3-diphenylpyrazol-4-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3385960
4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 4674621
4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 10754643
methyl 6-methyl-4-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 52945008
methyl (4R)-6-methyl-2-oxo-4-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 40774010
(4R)-4-(4-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 7590851
propan-2-yl (4S)-4-[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 41032456
2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinolin-4-one
CID 102470522
propan-2-yl 6-methyl-2-oxo-4-[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2917472
3-cyclopentyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 17440646
(2R)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-[2-[(2S)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 99710533
(2R)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-[2-[(2R)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 99710540

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-diphenylpyrazol-4-yl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The IUPAC name of 4-(1,3-diphenylpyrazol-4-yl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione (CID 46196862) is 4-(1,3-diphenylpyrazol-4-yl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione.
What is the SMILES notation for 4-(1,3-diphenylpyrazol-4-yl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The canonical SMILES for 4-(1,3-diphenylpyrazol-4-yl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione is O=C1NC2=C(C(=O)CCC2)C(c2cn(-c3ccccc3)nc2-c2ccccc2)N1.
What is the InChIKey of 4-(1,3-diphenylpyrazol-4-yl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The InChIKey is UELBUNDDVPGXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-19-13-7-12-18-20(19)22(25-23(29)24-18)17-14-27(16-10-5-2-6-11-16)26-21(17)15-8-3-1-4-9-15/h1-6,8-11,14,22H,7,12-13H2,(H2,24,25,29).
What are the key properties of 4-(1,3-diphenylpyrazol-4-yl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
4-(1,3-diphenylpyrazol-4-yl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione has a molecular weight of 384.44 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-diphenylpyrazol-4-yl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione is sourced from PubChem (CID 46196862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).