3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione

C24H23N5O3 — CID 91632068

IUPAC3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
SMILESCn1nc(-c2ccccc2)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C24H23N5O3/c1-27-21(15-20(26-27)16-7-3-2-4-8-16)23(31)28-13-11-17(12-14-28)29-22(30)18-9-5-6-10-19(18)25-24(29)32/h2-10,15,17H,11-14H2,1H3,(H,25,32)
InChIKeyNBOYEUZPSCONQP-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.57
Rot. Bonds3

About 3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione

3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione (PubChem CID 91632068) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
PubChem CID91632068
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
SMILESCn1nc(-c2ccccc2)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C24H23N5O3/c1-27-21(15-20(26-27)16-7-3-2-4-8-16)23(31)28-13-11-17(12-14-28)29-22(30)18-9-5-6-10-19(18)25-24(29)32/h2-10,15,17H,11-14H2,1H3,(H,25,32)
InChIKeyNBOYEUZPSCONQP-UHFFFAOYSA-N
XLogP2.57
TPSA92.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 91632111
[4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 166374697
3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 91632072
3-[1-[3-(3-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 42755443
3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 100745438
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 71799449
6-methyl-4-[(3R)-1-(1-methyl-3-phenylpyrazole-5-carbonyl)pyrrolidin-3-yl]oxypyran-2-one
CID 99877849
6-methyl-4-[(3S)-1-(1-methyl-3-phenylpyrazole-5-carbonyl)pyrrolidin-3-yl]oxypyran-2-one
CID 99877851
3-[1-[1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 42755382
3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017244
3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 129416598
[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 90493177

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione (CID 91632068) is 3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione is Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1.
What is the InChIKey of 3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione?
The InChIKey is NBOYEUZPSCONQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-27-21(15-20(26-27)16-7-3-2-4-8-16)23(31)28-13-11-17(12-14-28)29-22(30)18-9-5-6-10-19(18)25-24(29)32/h2-10,15,17H,11-14H2,1H3,(H,25,32).
What are the key properties of 3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione?
3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione has a molecular weight of 429.48 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 91632068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).