(2R)-2-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-3-cyclopropyl-1,2-dihydroquinazolin-4-one

C29H28N4O3 — CID 41209592

IUPAC(2R)-2-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-3-cyclopropyl-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC
InChIInChI=1S/C29H28N4O3/c1-35-25-15-12-20(16-26(25)36-2)27-23(18-32(31-27)17-19-8-4-3-5-9-19)28-30-24-11-7-6-10-22(24)29(34)33(28)21-13-14-21/h3-12,15-16,18,21,28,30H,13-14,17H2,1-2H3/t28-/m1/s1
InChIKeyHJZPKVARICLFDP-MUUNZHRXSA-N
MW480.57 g/mol
LogP5.34
Rot. Bonds7

About (2R)-2-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-3-cyclopropyl-1,2-dihydroquinazolin-4-one

(2R)-2-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-3-cyclopropyl-1,2-dihydroquinazolin-4-one (PubChem CID 41209592) has the molecular formula C29H28N4O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is (2R)-2-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-3-cyclopropyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-3-cyclopropyl-1,2-dihydroquinazolin-4-one
PubChem CID41209592
Molecular FormulaC29H28N4O3
Molecular Weight480.57 g/mol
Exact Mass480.22
IUPAC Name(2R)-2-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-3-cyclopropyl-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC
InChIInChI=1S/C29H28N4O3/c1-35-25-15-12-20(16-26(25)36-2)27-23(18-32(31-27)17-19-8-4-3-5-9-19)28-30-24-11-7-6-10-22(24)29(34)33(28)21-13-14-21/h3-12,15-16,18,21,28,30H,13-14,17H2,1-2H3/t28-/m1/s1
InChIKeyHJZPKVARICLFDP-MUUNZHRXSA-N
XLogP5.34
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-3-cyclopropyl-1,2-dihydroquinazolin-4-one 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

(2S)-2-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one
CID 41024221
(2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 31521568
5-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 4573342
(2S)-2-[1-benzyl-3-(3-methylphenyl)pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
CID 41155134
(2R)-3-cyclopropyl-2-(3,5-dibromo-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 40810083
2-benzyl-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydrophthalazin-1-one
CID 11003326
2-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide
CID 67645662
cyanomethyl 1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate
CID 8980258
(2S)-3-cyclopropyl-2-(3-ethoxy-4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008714
[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 25360793
(2S)-3-benzyl-2-(4,5-dimethoxy-2-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9011827
3-cyclopentyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 17440646

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-3-cyclopropyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-3-cyclopropyl-1,2-dihydroquinazolin-4-one (CID 41209592) is (2R)-2-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-3-cyclopropyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-3-cyclopropyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-3-cyclopropyl-1,2-dihydroquinazolin-4-one is COc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC.
What is the InChIKey of (2R)-2-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-3-cyclopropyl-1,2-dihydroquinazolin-4-one?
The InChIKey is HJZPKVARICLFDP-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H28N4O3/c1-35-25-15-12-20(16-26(25)36-2)27-23(18-32(31-27)17-19-8-4-3-5-9-19)28-30-24-11-7-6-10-22(24)29(34)33(28)21-13-14-21/h3-12,15-16,18,21,28,30H,13-14,17H2,1-2H3/t28-/m1/s1.
What are the key properties of (2R)-2-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-3-cyclopropyl-1,2-dihydroquinazolin-4-one?
(2R)-2-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-3-cyclopropyl-1,2-dihydroquinazolin-4-one has a molecular weight of 480.57 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-3-cyclopropyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 41209592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).