N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide

C29H27N5O3 — CID 31801441

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1=O
InChIInChI=1S/C29H27N5O3/c1-3-32-28(36)24-16-10-11-17-25(24)33(29(32)37)20-26(35)31(2)18-22-19-34(23-14-8-5-9-15-23)30-27(22)21-12-6-4-7-13-21/h4-17,19H,3,18,20H2,1-2H3
InChIKeyXOBVJBYXYKTDPR-UHFFFAOYSA-N
MW493.57 g/mol
LogP3.69
Rot. Bonds7

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide (PubChem CID 31801441) has the molecular formula C29H27N5O3 and a molecular weight of 493.57 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide
PubChem CID31801441
Molecular FormulaC29H27N5O3
Molecular Weight493.57 g/mol
Exact Mass493.21
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1=O
InChIInChI=1S/C29H27N5O3/c1-3-32-28(36)24-16-10-11-17-25(24)33(29(32)37)20-26(35)31(2)18-22-19-34(23-14-8-5-9-15-23)30-27(22)21-12-6-4-7-13-21/h4-17,19H,3,18,20H2,1-2H3
InChIKeyXOBVJBYXYKTDPR-UHFFFAOYSA-N
XLogP3.69
TPSA82.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide with MolForge

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Related Compounds

2-(2,4-dioxoquinazolin-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 29469726
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-ethyl-N-methyl-4-oxophthalazine-1-carboxamide
CID 39763829
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 31333794
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
CID 46523369
4-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide
CID 38745501
N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide
CID 56538169
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 24547320
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide
CID 9140809
2-(2-cyanophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 39763812
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148
2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide
CID 55912722
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119689500

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide (CID 31801441) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide is CCn1c(=O)c2ccccc2n(CC(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1=O.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide?
The InChIKey is XOBVJBYXYKTDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O3/c1-3-32-28(36)24-16-10-11-17-25(24)33(29(32)37)20-26(35)31(2)18-22-19-34(23-14-8-5-9-15-23)30-27(22)21-12-6-4-7-13-21/h4-17,19H,3,18,20H2,1-2H3.
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide has a molecular weight of 493.57 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide is sourced from PubChem (CID 31801441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).